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promptadmin 53c2e77288 [upstream-sync] docs/data/resources.json from inoue0426/awesome-computational-biology@7a064bf0 [catalogue] 2026-08-08 21:51:26 +00:00
promptadmin 718179d35a [upstream-sync] data/resources.yml from inoue0426/awesome-computational-biology@7a064bf0 [catalogue] 2026-08-08 21:51:24 +00:00
promptadmin bbb4a28582 [upstream-sync] data/resources.json from inoue0426/awesome-computational-biology@7a064bf0 [catalogue] 2026-08-08 21:51:22 +00:00
promptadmin 89ee6aff51 [upstream-sync] cspell.json from inoue0426/awesome-computational-biology@7a064bf0 [unknown] 2026-08-08 21:51:19 +00:00
promptadmin 9d277f9d01 [upstream-sync] README.md from inoue0426/awesome-computational-biology@7a064bf0 [catalogue] 2026-08-08 21:51:17 +00:00
promptadmin 0c421f2ac1 [upstream-sync] .github/workflows/sync_resources.yml from inoue0426/awesome-computational-biology@7a064bf0 [unknown] 2026-08-08 21:51:15 +00:00
promptadmin 93be653ade [upstream-sync] docs/data/resource.schema.json from inoue0426/awesome-computational-biology@7a064bf0 [catalogue] 2026-08-08 21:51:12 +00:00
promptadmin 4aba0445d9 [upstream-sync] docs/data/SCHEMA_V2.md from inoue0426/awesome-computational-biology@7a064bf0 [catalogue] 2026-08-08 21:51:11 +00:00
promptadmin 751894b8ec [upstream-sync] docs/data/README.md from inoue0426/awesome-computational-biology@7a064bf0 [catalogue] 2026-08-08 21:51:09 +00:00
promptadmin 3331a1ace5 [upstream-sync] docs/FOUNDATION_MODEL_ENRICHMENT.md from inoue0426/awesome-computational-biology@7a064bf0 [catalogue] 2026-08-08 21:51:07 +00:00
promptadmin c4cc7c574e [upstream-sync] docs/AI4BIO_LANDSCAPE.md from inoue0426/awesome-computational-biology@7a064bf0 [catalogue] 2026-08-08 21:51:05 +00:00
promptadmin 396d32d996 [upstream-sync] data/vocabulary.yml from inoue0426/awesome-computational-biology@7a064bf0 [unknown] 2026-08-08 21:51:03 +00:00
promptadmin 6752ebfbee [upstream-sync] data/enrichment.yml from inoue0426/awesome-computational-biology@7a064bf0 [catalogue] 2026-08-08 21:51:01 +00:00
promptadmin 25ed42073b [upstream-sync] data/enrichment.spatial-imaging-v1.yml from inoue0426/awesome-computational-biology@7a064bf0 [catalogue] 2026-08-08 21:50:59 +00:00
promptadmin dc89023147 [upstream-sync] data/enrichment.protein-v2.yml from inoue0426/awesome-computational-biology@7a064bf0 [catalogue] 2026-08-08 21:50:57 +00:00
promptadmin 32c34ff1eb [upstream-sync] data/enrichment.protein-drug-v1.yml from inoue0426/awesome-computational-biology@7a064bf0 [catalogue] 2026-08-08 21:50:55 +00:00
promptadmin cea9e1b812 [upstream-sync] data/enrichment.pharmacogenomics-v1.yml from inoue0426/awesome-computational-biology@7a064bf0 [catalogue] 2026-08-08 21:50:53 +00:00
promptadmin 4cf5928724 [upstream-sync] data/enrichment.molecular-v2.yml from inoue0426/awesome-computational-biology@7a064bf0 [catalogue] 2026-08-08 21:50:51 +00:00
promptadmin bbde223edb [upstream-sync] data/enrichment.foundation-models-v2.yml from inoue0426/awesome-computational-biology@7a064bf0 [catalogue] 2026-08-08 21:50:48 +00:00
promptadmin 72507e799e [upstream-sync] data/enrichment.database-api-v1.yml from inoue0426/awesome-computational-biology@7a064bf0 [catalogue] 2026-08-08 21:50:46 +00:00
promptadmin 9d3222ddc4 [upstream-sync] data/enrichment.benchmark-v2.yml from inoue0426/awesome-computational-biology@7a064bf0 [catalogue] 2026-08-08 21:50:44 +00:00
promptadmin c15032eed1 [upstream-sync] .github/workflows/landscape-ui-check.yml from inoue0426/awesome-computational-biology@7a064bf0 [unknown] 2026-08-08 21:50:42 +00:00
promptadmin dffd9a2f99 [upstream-sync] .github/workflows/ai4bio-schema-check.yml from inoue0426/awesome-computational-biology@7a064bf0 [unknown] 2026-08-08 21:50:40 +00:00
24 changed files with 3476 additions and 423 deletions
@@ -2,9 +2,9 @@
title: "Readme"
task: ""
lineage_type: import
upstream_source: https://github.com/ai-boost/awesome-ai-for-science/blob/024f42bf/README.md
upstream_sha: 024f42bf
imported_at: 2026-08-09
upstream_source: https://github.com/ai-boost/awesome-ai-for-science/blob/34bc16f8/README.md
upstream_sha: 34bc16f8
imported_at: 2026-08-08
prompt_class: catalogue
upstream_changes: accepted
author: upstream
@@ -219,7 +219,6 @@ validated: false
- [Science Superpowers (K-Dense-AI)](https://github.com/K-Dense-AI/science-superpowers) - Composable computational-science methodology skills for AI research agents emphasizing pre-registration, reproducible workspaces, and red-team review to guard against p-hacking and HARKing; zero third-party dependencies and runs with any agent harness plus a POSIX shell (281+ stars, MIT License, 2026)
- [Wisp Science](https://github.com/xuzhougeng/wisp-science) - Open-source, local-first desktop AI research workbench for scientific computing with Python/R, MCP bioinformatics tools, SSH/WSL/GPU runtimes, and OpenAI/Anthropic models (857+ stars, 2026)
- [Academic Research Skills (ARS)](https://github.com/Imbad0202/academic-research-skills) - Comprehensive Claude Code skill suite covering the full academic pipeline from deep research and paper writing to multi-perspective peer review, revision, and finalization; features multi-agent teams, PRISMA systematic review, style calibration, claim-level citation audits, integrity gates, and human-in-the-loop safeguards (38K+ stars, CC BY-NC 4.0, 2026)
- [Qinyan Academic Skills](https://github.com/LeonChaoX/qinyan-academic-skills) - Curated, multilingual library of 182 installable AI agent skills for end-to-end academic research spanning literature discovery, scientific writing, grant development, bioinformatics, drug discovery, clinical research, machine learning, and data analysis (779+ stars, MIT License, 2026)
- [SkillOpt (Microsoft, 2026)](https://github.com/microsoft/SkillOpt) - Text-space optimizer that treats agent skill documents as trainable parameters for frozen LLMs, using scored rollouts and held-out validation gates to iteratively improve reusable natural-language skills; includes SkillOpt-Sleep for nightly self-evolution and improves accuracy across Claude Code, Codex, Copilot, and direct-chat harnesses, making it a meta-tool for evolving scientific agent skill workflows (15.5K+ stars, MIT License, PyPI)
- [Open Science (AIPOCH)](https://github.com/aipoch/open-science) - Open-source, local-first, model-agnostic AI research workbench for reproducible scientific discovery; runs Python/R notebooks, searches the web, calls scientific data connectors, and produces inspectable reports, tables, and figures in a self-hosted desktop workspace (1.5K+ stars, Apache 2.0, 2026)
- [OmicsClaw](https://github.com/TianGzlab/OmicsClaw) - Local-first, conversational AI research partner for multi-omics analysis with CLI, desktop app, and 95+ reproducible skills; keeps raw data local while routing natural-language requests to Python/R/CLI tools with persistent memory, autonomous analysis paths, and multi-method consensus workflows (TianGzlab, 155+ stars, Apache 2.0, 2026)
@@ -657,7 +656,6 @@ validated: false
- [PathChat (Nature Medicine 2024)](https://github.com/MahmoodLab/PathChat) - Multimodal generative AI assistant for computational pathology enabling interactive visual-language conversations over histopathology images for diagnostic reasoning, case discussion, and education, built on a Mistral-7B backbone with domain-specific fine-tuning (Mahmood Lab, Harvard Medical School, 1.2K+ stars)
- [SlideChat (CVPR 2025)](https://github.com/uni-medical/SlideChat) - First large vision-language assistant for gigapixel whole-slide pathology image understanding, released with the SlideInstruction dataset and SlideBench benchmark (uni-medical, Apache 2.0, 2025)
- [HEST (NeurIPS 2024)](https://github.com/mahmoodlab/HEST) - Dataset and benchmarking framework integrating histology and spatial transcriptomics, enabling multimodal analysis of whole-slide images with matched spatial gene expression for advancing computational pathology and tissue microenvironment research (Mahmood Lab, Harvard Medical School, 411+ stars)
- [spmind (ICML 2026)](https://github.com/tomtommyyuan/spmind) - Autonomous AI agent for end-to-end spatial proteomics analysis, featuring SP-Bench for agentic multiplexed-imaging workflows (tomtommyyuan, 140+ stars, 2026)
#### Medical AI & Clinical Applications
- [Cellpose](https://github.com/MouseLand/cellpose) - Generalist deep learning algorithm for cell and nucleus segmentation across diverse image types, with human-in-the-loop training (2.0) and one-click image restoration (3.0), 70K+ training objects (Nature Methods 2021/2022/2025)
@@ -0,0 +1,61 @@
---
title: "Ai4Bio Schema Check"
task: ""
lineage_type: import
upstream_source: https://github.com/inoue0426/awesome-computational-biology/blob/7a064bf0/.github/workflows/ai4bio-schema-check.yml
upstream_sha: 7a064bf0
imported_at: 2026-08-08
prompt_class: unknown
upstream_changes: accepted
author: upstream
validated: false
---
name: AI4Bio Schema Check
on:
pull_request:
paths:
- data/resources.yml
- data/enrichment.yml
- 'data/enrichment.*.yml'
- data/vocabulary.yml
- docs/data/resource.schema.json
- scripts/enrichment_fragments.py
- scripts/validate_resources.py
- scripts/build_resources_v2.py
push:
branches: [main]
paths:
- data/resources.yml
- data/enrichment.yml
- 'data/enrichment.*.yml'
- data/vocabulary.yml
- docs/data/resource.schema.json
- scripts/enrichment_fragments.py
- scripts/validate_resources.py
- scripts/build_resources_v2.py
permissions:
contents: read
jobs:
validate:
runs-on: ubuntu-latest
steps:
- uses: actions/checkout@v4
- uses: astral-sh/setup-uv@v3
- name: Validate schema and enrichment
run: uv run --with pyyaml python scripts/validate_resources.py
- name: Build enriched artifacts
run: uv run --with pyyaml python scripts/build_resources_v2.py
- name: Verify enriched artifacts are committed
run: |
if git diff --quiet; then
echo "AI4Bio artifacts are in sync."
exit 0
fi
echo "Generated AI4Bio artifacts are out of date. Run:"
echo " uv run --with pyyaml python scripts/build_resources_v2.py"
git status --short
exit 1
@@ -0,0 +1,43 @@
---
title: "Landscape Ui Check"
task: ""
lineage_type: import
upstream_source: https://github.com/inoue0426/awesome-computational-biology/blob/7a064bf0/.github/workflows/landscape-ui-check.yml
upstream_sha: 7a064bf0
imported_at: 2026-08-08
prompt_class: unknown
upstream_changes: accepted
author: upstream
validated: false
---
name: Landscape UI Check
on:
pull_request:
paths:
- docs/landscape.html
- docs/landscape.css
- docs/landscape.js
- .github/workflows/landscape-ui-check.yml
push:
branches: [main]
paths:
- docs/landscape.html
- docs/landscape.css
- docs/landscape.js
- .github/workflows/landscape-ui-check.yml
permissions:
contents: read
jobs:
ui-check:
runs-on: ubuntu-latest
steps:
- uses: actions/checkout@v4
- uses: actions/setup-node@v4
with:
node-version: 'lts/*'
- name: Check landscape JavaScript syntax
run: node --check docs/landscape.js
@@ -2,9 +2,9 @@
title: "Sync Resources"
task: ""
lineage_type: import
upstream_source: https://github.com/inoue0426/awesome-computational-biology/blob/12d87583/.github/workflows/sync_resources.yml
upstream_sha: 12d87583
imported_at: 2026-06-26
upstream_source: https://github.com/inoue0426/awesome-computational-biology/blob/7a064bf0/.github/workflows/sync_resources.yml
upstream_sha: 7a064bf0
imported_at: 2026-08-08
prompt_class: unknown
upstream_changes: accepted
author: upstream
@@ -20,6 +20,8 @@ on:
paths:
- README.md
- data/resources.yml
- data/enrichment.yml
- 'data/enrichment.*.yml'
- scripts/*.py
- scripts/**/*.py
@@ -55,7 +57,10 @@ jobs:
- name: Sync From README
if: contains(steps.changes.outputs.changed, 'README.md')
run: uv run python scripts/sync_resources_from_readme.py
run: uv run --with pyyaml python scripts/sync_resources_from_readme.py
- name: Validate Resource Schema
run: uv run --with pyyaml python scripts/validate_resources.py
- name: Build Artifacts
run: uv run --with pyyaml python scripts/build_resources.py
@@ -2,9 +2,9 @@
title: "Awesome Computational Biology [![Awesome](https://awesome.re/badge.svg)](https://awesome.re)"
task: ""
lineage_type: import
upstream_source: https://github.com/inoue0426/awesome-computational-biology/blob/478be843/README.md
upstream_sha: 478be843
imported_at: 2026-07-17
upstream_source: https://github.com/inoue0426/awesome-computational-biology/blob/7a064bf0/README.md
upstream_sha: 7a064bf0
imported_at: 2026-08-08
prompt_class: catalogue
upstream_changes: accepted
author: upstream
@@ -70,6 +70,7 @@ Browse and search the resources via the [GitHub Pages UI](https://inoue0426.gith
- [Machine Learning Tasks and Models](#machine-learning-tasks-and-models)
- [Drug Discovery](#drug-discovery)
- [Drug Response Prediction](#drug-response-prediction)
- [Drug Perturbation](#drug-perturbation)
- [Drug Repurposing](#drug-repurposing)
- [Drug Target Interaction](#drug-target-interaction)
- [Compound-Protein Interaction](#compound-protein-interaction)
@@ -340,10 +341,15 @@ Browse and search the resources via the [GitHub Pages UI](https://inoue0426.gith
- [RECOVER](https://github.com/RECOVERcoalition/Recover) — Machine learning framework for predicting synergistic drug combination responses across cell lines.
- [TGSA](https://github.com/violet-sto/TGSA) — Tumor gene set and attention-based model leveraging biological pathway knowledge for drug response prediction.
- [HiDRA](https://github.com/bsml320/HiDRA) — Hierarchical network model incorporating gene and pathway-level information for cancer drug response prediction.
- [PRNet](https://github.com/Perturbation-Response-Prediction/PRnet) — Deep generative model for predicting transcriptional responses to novel chemical perturbations for drug discovery.
- [DRUML](https://github.com/CutillasLab/DRUMLR) — Ensemble machine learning framework combining standard ML with deep learning to systematically rank anti-cancer drugs from proteomics and RNA-seq data.
#### Drug Perturbation
- [CellOT](https://github.com/bunnech/cellot) — Neural optimal transport framework for predicting single-cell responses to drug and genetic perturbations.
- [CMonge](https://github.com/AI4SCR/conditional-monge-gap) — Conditional optimal transport model for generalizable single-cell perturbation response prediction across drugs and doses.
- [chemCPA](https://github.com/theislab/chemCPA) — Compositional perturbation autoencoder for predicting single-cell transcriptional responses to unseen drug perturbations and dose combinations.
- [cycleCDR](https://github.com/hliulab/cycleCDR) — Interpretable cycle-consistency framework for modeling cellular responses to drug perturbations.
- [DRUML](https://github.com/CutillasLab/DRUMLR) — Ensemble machine learning framework combining standard ML with deep learning to systematically rank anti-cancer drugs from proteomics and RNA-seq data.
- [PRNet](https://github.com/Perturbation-Response-Prediction/PRnet) — Deep generative model for predicting transcriptional responses to novel chemical perturbations for drug discovery.
#### Drug Repurposing
@@ -2,9 +2,9 @@
title: "Cspell"
task: ""
lineage_type: import
upstream_source: https://github.com/inoue0426/awesome-computational-biology/blob/12d87583/cspell.json
upstream_sha: 12d87583
imported_at: 2026-06-26
upstream_source: https://github.com/inoue0426/awesome-computational-biology/blob/7a064bf0/cspell.json
upstream_sha: 7a064bf0
imported_at: 2026-08-08
prompt_class: unknown
upstream_changes: accepted
author: upstream
@@ -157,7 +157,21 @@ validated: false
"Pacc",
"multiomics",
"Pathomic",
"PLIP"
"PLIP",
"Omni",
"Bento",
"FFPE",
"Xenium",
"Zyme",
"Neur",
"Imageomics",
"AESTETIK",
"CellOT",
"CMonge",
"bowang",
"ctheodoris",
"OpenAI",
"GPT"
],
"ignorePaths": [
"node_modules/**"
@@ -0,0 +1,56 @@
---
title: "Provenance-backed single-cell and biomedical benchmark enrichment batch."
task: ""
lineage_type: import
upstream_source: https://github.com/inoue0426/awesome-computational-biology/blob/7a064bf0/data/enrichment.benchmark-v2.yml
upstream_sha: 7a064bf0
imported_at: 2026-08-08
prompt_class: catalogue
upstream_changes: accepted
author: upstream
validated: false
---
# Provenance-backed single-cell and biomedical benchmark enrichment batch.
resources:
scmulan:
entities: [cell, gene]
methods: [language-model, transformer]
modalities: [epigenomics, multi-omics, proteomics, single-cell-rna-seq, transcriptomics]
tasks: [foundation-model-pretraining, representation-learning]
github: https://github.com/SuperBianC/scMulan
last_checked: 2026-08-08
metadata_sources:
- https://github.com/SuperBianC/scMulan
proteingym:
entities: [protein]
modalities: [protein-sequence]
tasks: [regression]
github: https://github.com/OATML-Markslab/ProteinGym
last_checked: 2026-08-08
metadata_sources:
- https://github.com/OATML-Markslab/ProteinGym
lincs_l1000:
entities: [cell, compound, gene]
modalities: [transcriptomics]
tasks: [perturbation-prediction]
last_checked: 2026-08-08
metadata_sources:
- https://lincsproject.org/LINCS/tools/workflows/find-the-best-place-to-obtain-the-lincs-l1000-data
prism:
entities: [cell, drug]
tasks: [drug-response-prediction]
last_checked: 2026-08-08
metadata_sources:
- https://depmap.org/portal/prism/
pharmgkb:
entities: [drug, gene, phenotype, variant]
modalities: [clinical, genomics]
tasks: [drug-response-prediction]
last_checked: 2026-08-08
metadata_sources:
- https://www.pharmgkb.org/
@@ -0,0 +1,91 @@
---
title: "Provenance-backed database and API enrichment batch."
task: ""
lineage_type: import
upstream_source: https://github.com/inoue0426/awesome-computational-biology/blob/7a064bf0/data/enrichment.database-api-v1.yml
upstream_sha: 7a064bf0
imported_at: 2026-08-08
prompt_class: catalogue
upstream_changes: accepted
author: upstream
validated: false
---
# Provenance-backed database and API enrichment batch.
resources:
chembl_web_services:
entities: [molecule, protein]
modalities: [chemical-structure]
documentation: https://www.ebi.ac.uk/chembl/api/data/docs
last_checked: 2026-08-08
metadata_sources:
- https://www.ebi.ac.uk/chembl/api/data/docs
clinicaltrials_gov_api:
entities: [disease, drug]
modalities: [clinical]
documentation: https://clinicaltrials.gov/data-api/api
last_checked: 2026-08-08
metadata_sources:
- https://clinicaltrials.gov/data-api/api
ensembl_rest_api:
entities: [gene, genome, transcript, variant]
modalities: [genomics]
documentation: https://rest.ensembl.org/
last_checked: 2026-08-08
metadata_sources:
- https://rest.ensembl.org/
kegg_rest_api:
entities: [compound, gene, pathway]
documentation: https://www.kegg.jp/kegg/rest/keggapi.html
last_checked: 2026-08-08
metadata_sources:
- https://www.kegg.jp/kegg/rest/keggapi.html
ncbi_e_utilities:
entities: [gene, genome, protein, transcript, variant]
modalities: [genomics, transcriptomics]
documentation: https://www.ncbi.nlm.nih.gov/books/NBK25501/
last_checked: 2026-08-08
metadata_sources:
- https://www.ncbi.nlm.nih.gov/books/NBK25501/
open_targets_platform_api:
entities: [disease, drug, gene, variant]
modalities: [genomics, knowledge-graph]
documentation: https://platform.opentargets.org/api
last_checked: 2026-08-08
metadata_sources:
- https://platform.opentargets.org/api
pubmed_e_utilities_esearch_efetch:
documentation: https://www.ncbi.nlm.nih.gov/books/NBK25501/
last_checked: 2026-08-08
metadata_sources:
- https://www.ncbi.nlm.nih.gov/books/NBK25501/
uniprot_rest_api:
entities: [protein]
modalities: [protein-sequence, proteomics]
documentation: https://www.uniprot.org/help/api
last_checked: 2026-08-08
metadata_sources:
- https://www.uniprot.org/help/api
drugbank:
entities: [disease, drug, protein]
modalities: [chemical-structure]
last_checked: 2026-08-08
metadata_sources:
- https://go.drugbank.com/
string:
entities: [protein]
modalities: [knowledge-graph, proteomics]
documentation: https://string-db.org/help/api/
last_checked: 2026-08-08
metadata_sources:
- https://string-db.org/
- https://string-db.org/help/api/
@@ -0,0 +1,73 @@
---
title: "Provenance-backed foundation model enrichment batch 2."
task: ""
lineage_type: import
upstream_source: https://github.com/inoue0426/awesome-computational-biology/blob/7a064bf0/data/enrichment.foundation-models-v2.yml
upstream_sha: 7a064bf0
imported_at: 2026-08-08
prompt_class: catalogue
upstream_changes: accepted
author: upstream
validated: false
---
# Provenance-backed foundation model enrichment batch 2.
resources:
nicheformer:
entities: [cell, gene, tissue]
methods: [self-supervised-learning, transformer]
modalities: [single-cell-rna-seq, spatial-transcriptomics, transcriptomics]
tasks: [foundation-model-pretraining, representation-learning]
year: 2024
github: https://github.com/theislab/nicheformer
paper: https://doi.org/10.1101/2024.04.15.589472
last_checked: 2026-08-08
metadata_sources:
- https://github.com/theislab/nicheformer
- https://doi.org/10.1101/2024.04.15.589472
genept:
entities: [cell, gene]
methods: [language-model]
modalities: [single-cell-rna-seq, transcriptomics]
tasks: [batch-correction, classification, representation-learning]
year: 2023
github: https://github.com/yiqunchen/GenePT
paper: https://www.biorxiv.org/content/10.1101/2023.10.16.562533v2
last_checked: 2026-08-08
metadata_sources:
- https://github.com/yiqunchen/GenePT
- https://www.biorxiv.org/content/10.1101/2023.10.16.562533v2
scgpt_spatial:
entities: [cell, gene, tissue]
methods: [generative-model, self-supervised-learning, transformer]
modalities: [multi-omics, single-cell-rna-seq, spatial-transcriptomics]
tasks: [foundation-model-pretraining, imputation, representation-learning]
year: 2025
github: https://github.com/bowang-lab/scGPT-spatial
paper: https://www.biorxiv.org/content/10.1101/2025.02.05.636714v1
last_checked: 2026-08-08
metadata_sources:
- https://github.com/bowang-lab/scGPT-spatial
- https://www.biorxiv.org/content/10.1101/2025.02.05.636714v1
scprint:
entities: [cell, gene]
methods: [self-supervised-learning, transformer]
modalities: [single-cell-rna-seq, transcriptomics]
tasks:
- batch-correction
- cell-type-annotation
- foundation-model-pretraining
- gene-regulatory-network-inference
- imputation
- representation-learning
year: 2025
github: https://github.com/cantinilab/scPRINT
documentation: https://www.jkobject.com/scPRINT/
paper: https://www.nature.com/articles/s41467-025-58699-1
last_checked: 2026-08-08
metadata_sources:
- https://github.com/cantinilab/scPRINT
- https://www.nature.com/articles/s41467-025-58699-1
@@ -0,0 +1,62 @@
---
title: "Provenance-backed molecular model and benchmark enrichment batch."
task: ""
lineage_type: import
upstream_source: https://github.com/inoue0426/awesome-computational-biology/blob/7a064bf0/data/enrichment.molecular-v2.yml
upstream_sha: 7a064bf0
imported_at: 2026-08-08
prompt_class: catalogue
upstream_changes: accepted
author: upstream
validated: false
---
# Provenance-backed molecular model and benchmark enrichment batch.
resources:
chemberta_2:
entities: [molecule]
methods: [language-model, self-supervised-learning, transformer]
modalities: [chemical-structure]
tasks: [representation-learning]
github: https://github.com/seyonechithrananda/bert-loves-chemistry
last_checked: 2026-08-08
metadata_sources:
- https://github.com/seyonechithrananda/bert-loves-chemistry
molformer:
entities: [molecule]
methods: [language-model, self-supervised-learning, transformer]
modalities: [chemical-structure]
tasks: [representation-learning]
github: https://github.com/IBM/molformer
last_checked: 2026-08-08
metadata_sources:
- https://github.com/IBM/molformer
grover:
entities: [molecule]
methods: [graph-neural-network, self-supervised-learning, transformer]
modalities: [chemical-structure]
tasks: [representation-learning]
github: https://github.com/tencent-ailab/grover
last_checked: 2026-08-08
metadata_sources:
- https://github.com/tencent-ailab/grover
moleculenet:
entities: [molecule]
modalities: [chemical-structure]
tasks: [classification, regression]
github: https://github.com/deepchem/moleculenet
last_checked: 2026-08-08
metadata_sources:
- https://github.com/deepchem/moleculenet
guacamol:
entities: [molecule]
modalities: [chemical-structure]
tasks: [molecular-generation]
github: https://github.com/BenevolentAI/guacamol
last_checked: 2026-08-08
metadata_sources:
- https://github.com/BenevolentAI/guacamol
@@ -0,0 +1,92 @@
---
title: "Provenance-backed drug-response and pharmacogenomics enrichment batch."
task: ""
lineage_type: import
upstream_source: https://github.com/inoue0426/awesome-computational-biology/blob/7a064bf0/data/enrichment.pharmacogenomics-v1.yml
upstream_sha: 7a064bf0
imported_at: 2026-08-08
prompt_class: catalogue
upstream_changes: accepted
author: upstream
validated: false
---
# Provenance-backed drug-response and pharmacogenomics enrichment batch.
resources:
beat_aml:
entities: [cell, disease, drug, gene]
modalities: [genomics]
tasks: [drug-response-prediction]
last_checked: 2026-08-08
metadata_sources:
- https://biodev.github.io/BeatAML2/
cancer_therapeutics_response_portal_ctrp:
entities: [cell, drug]
tasks: [drug-response-prediction]
last_checked: 2026-08-08
metadata_sources:
- https://portals.broadinstitute.org/ctrp/
bindingdb_curated_sets:
entities: [molecule, protein]
modalities: [chemical-structure]
tasks: [drug-target-interaction]
last_checked: 2026-08-08
metadata_sources:
- https://www.bindingdb.org/
bace:
entities: [molecule, protein]
modalities: [chemical-structure]
tasks: [classification, regression]
last_checked: 2026-08-08
metadata_sources:
- https://www.kaggle.com/datasets/gokturkkoch/bace
clintox:
entities: [drug]
modalities: [clinical]
tasks: [classification]
last_checked: 2026-08-08
metadata_sources:
- https://tdcommons.ai/single_pred_tasks/tox/#clintox
sider_side_effect_resource:
entities: [drug, phenotype]
modalities: [clinical]
last_checked: 2026-08-08
metadata_sources:
- http://sideeffects.embl.de/
pk_db:
entities: [drug]
modalities: [clinical]
last_checked: 2026-08-08
metadata_sources:
- https://pk-db.com/
scperturb:
entities: [cell, drug, gene]
modalities: [single-cell-rna-seq]
tasks: [perturbation-prediction]
github: https://github.com/sanderlab/scPerturb
last_checked: 2026-08-08
metadata_sources:
- https://github.com/sanderlab/scPerturb
genomics_of_drug_sensitivity_in_cancer_gdsc:
entities: [cell, drug, gene]
modalities: [genomics]
tasks: [drug-response-prediction]
last_checked: 2026-08-08
metadata_sources:
- https://www.cancerrxgene.org/
cellminer_cross_database_cellminercdb:
entities: [cell, drug, gene]
modalities: [genomics]
tasks: [drug-response-prediction]
last_checked: 2026-08-08
metadata_sources:
- https://discover.nci.nih.gov/cellminercdb/
@@ -0,0 +1,62 @@
---
title: "Provenance-backed protein and drug-discovery enrichment batch."
task: ""
lineage_type: import
upstream_source: https://github.com/inoue0426/awesome-computational-biology/blob/7a064bf0/data/enrichment.protein-drug-v1.yml
upstream_sha: 7a064bf0
imported_at: 2026-08-08
prompt_class: catalogue
upstream_changes: accepted
author: upstream
validated: false
---
# Provenance-backed protein and drug-discovery enrichment batch.
resources:
esmfold:
entities: [protein]
methods: [language-model, transformer]
modalities: [molecular-structure, protein-sequence]
tasks: [representation-learning, structure-prediction]
year: 2023
github: https://github.com/facebookresearch/esm
last_checked: 2026-08-08
metadata_sources:
- https://github.com/facebookresearch/esm
proteinmpnn:
entities: [protein]
methods: [graph-neural-network, message-passing-neural-network]
modalities: [molecular-structure, protein-sequence]
tasks: [protein-sequence-design]
year: 2022
github: https://github.com/dauparas/ProteinMPNN
last_checked: 2026-08-08
metadata_sources:
- https://github.com/dauparas/ProteinMPNN
diffdock:
entities: [molecule, protein]
methods: [diffusion, geometric-deep-learning]
modalities: [molecular-structure]
tasks: [docking]
year: 2023
github: https://github.com/gcorso/DiffDock
paper: https://openreview.net/forum?id=kKF8_K-mBbS
last_checked: 2026-08-08
metadata_sources:
- https://github.com/gcorso/DiffDock
- https://openreview.net/forum?id=kKF8_K-mBbS
uni_mol:
entities: [molecule, protein]
methods: [self-supervised-learning, transformer]
modalities: [chemical-structure, molecular-structure]
tasks: [docking, representation-learning]
year: 2023
github: https://github.com/deepmodeling/Uni-Mol
paper: https://openreview.net/forum?id=6K2RM6wVqKu
last_checked: 2026-08-08
metadata_sources:
- https://github.com/deepmodeling/Uni-Mol
- https://openreview.net/forum?id=6K2RM6wVqKu
@@ -0,0 +1,64 @@
---
title: "Provenance-backed protein model enrichment batch."
task: ""
lineage_type: import
upstream_source: https://github.com/inoue0426/awesome-computational-biology/blob/7a064bf0/data/enrichment.protein-v2.yml
upstream_sha: 7a064bf0
imported_at: 2026-08-08
prompt_class: catalogue
upstream_changes: accepted
author: upstream
validated: false
---
# Provenance-backed protein model enrichment batch.
resources:
esm3:
entities: [protein]
methods: [generative-model, language-model, transformer]
modalities: [molecular-structure, protein-sequence]
tasks: [protein-sequence-design, representation-learning]
github: https://github.com/evolutionaryscale/esm
last_checked: 2026-08-08
metadata_sources:
- https://github.com/evolutionaryscale/esm
evolutionary_scale_modeling_esm:
entities: [protein]
methods: [language-model, self-supervised-learning, transformer]
modalities: [protein-sequence]
tasks: [representation-learning]
github: https://github.com/facebookresearch/esm
last_checked: 2026-08-08
metadata_sources:
- https://github.com/facebookresearch/esm
prottrans:
entities: [protein]
methods: [language-model, self-supervised-learning, transformer]
modalities: [protein-sequence]
tasks: [representation-learning]
github: https://github.com/agemagician/ProtTrans
last_checked: 2026-08-08
metadata_sources:
- https://github.com/agemagician/ProtTrans
progen2:
entities: [protein]
methods: [generative-model, language-model, transformer]
modalities: [protein-sequence]
tasks: [protein-sequence-design, representation-learning]
github: https://github.com/salesforce/progen
last_checked: 2026-08-08
metadata_sources:
- https://github.com/salesforce/progen
alphafold3:
entities: [molecule, protein, protein-complex]
methods: [diffusion]
modalities: [molecular-structure, protein-sequence]
tasks: [structure-prediction]
github: https://github.com/google-deepmind/alphafold3
last_checked: 2026-08-08
metadata_sources:
- https://github.com/google-deepmind/alphafold3
@@ -0,0 +1,110 @@
---
title: "Provenance-backed spatial transcriptomics and imaging enrichment batch."
task: ""
lineage_type: import
upstream_source: https://github.com/inoue0426/awesome-computational-biology/blob/7a064bf0/data/enrichment.spatial-imaging-v1.yml
upstream_sha: 7a064bf0
imported_at: 2026-08-08
prompt_class: catalogue
upstream_changes: accepted
author: upstream
validated: false
---
# Provenance-backed spatial transcriptomics and imaging enrichment batch.
resources:
aestetik:
entities: [cell, gene, tissue]
methods: [autoencoder]
modalities: [histopathology, spatial-transcriptomics]
tasks: [representation-learning]
github: https://github.com/ratschlab/aestetik
last_checked: 2026-08-08
metadata_sources:
- https://github.com/ratschlab/aestetik
conch:
entities: [tissue]
methods: [contrastive-learning, transformer]
modalities: [histopathology, imaging]
tasks: [foundation-model-pretraining, representation-learning]
github: https://github.com/mahmoodlab/CONCH
last_checked: 2026-08-08
metadata_sources:
- https://github.com/mahmoodlab/CONCH
deepspot:
entities: [gene, tissue]
modalities: [histopathology, spatial-transcriptomics]
tasks: [regression]
github: https://github.com/ratschlab/DeepSpot
last_checked: 2026-08-08
metadata_sources:
- https://github.com/ratschlab/DeepSpot
deepspot_m:
entities: [gene, tissue]
modalities: [histopathology, spatial-transcriptomics, transcriptomics]
tasks: [foundation-model-pretraining, regression]
github: https://github.com/ratschlab/DeepSpotM
last_checked: 2026-08-08
metadata_sources:
- https://github.com/ratschlab/DeepSpotM
deepspot2cell:
entities: [cell, gene, tissue]
modalities: [histopathology, spatial-transcriptomics]
tasks: [regression]
github: https://github.com/ratschlab/DeepSpot2Cell
last_checked: 2026-08-08
metadata_sources:
- https://github.com/ratschlab/DeepSpot2Cell
gigapath:
entities: [tissue]
methods: [self-supervised-learning, transformer]
modalities: [histopathology, imaging]
tasks: [foundation-model-pretraining, representation-learning]
github: https://github.com/prov-gigapath/prov-gigapath
last_checked: 2026-08-08
metadata_sources:
- https://github.com/prov-gigapath/prov-gigapath
phikon:
entities: [tissue]
methods: [self-supervised-learning, transformer]
modalities: [histopathology, imaging]
tasks: [foundation-model-pretraining, representation-learning]
documentation: https://huggingface.co/owkin/phikon
last_checked: 2026-08-08
metadata_sources:
- https://huggingface.co/owkin/phikon
plip:
entities: [tissue]
methods: [contrastive-learning]
modalities: [histopathology, imaging]
tasks: [classification, representation-learning]
github: https://github.com/PathologyFoundation/plip
last_checked: 2026-08-08
metadata_sources:
- https://github.com/PathologyFoundation/plip
uni:
entities: [tissue]
methods: [self-supervised-learning, transformer]
modalities: [histopathology, imaging]
tasks: [foundation-model-pretraining, representation-learning]
github: https://github.com/mahmoodlab/UNI
last_checked: 2026-08-08
metadata_sources:
- https://github.com/mahmoodlab/UNI
hest_xenium_virtual_spatial_transcriptomics:
entities: [cell, gene, tissue]
modalities: [histopathology, spatial-transcriptomics, transcriptomics]
tasks: [regression]
documentation: https://huggingface.co/datasets/ratschlab/HEST_Xenium_virtual_spatial_transcriptomics
last_checked: 2026-08-08
metadata_sources:
- https://huggingface.co/datasets/ratschlab/HEST_Xenium_virtual_spatial_transcriptomics
@@ -0,0 +1,128 @@
---
title: "AI4Bio landscape enrichment overlay"
task: ""
lineage_type: import
upstream_source: https://github.com/inoue0426/awesome-computational-biology/blob/7a064bf0/data/enrichment.yml
upstream_sha: 7a064bf0
imported_at: 2026-08-08
prompt_class: catalogue
upstream_changes: accepted
author: upstream
validated: false
---
# AI4Bio landscape enrichment overlay
#
# README.md remains the canonical source for resource membership and basic fields.
# Add richer, independently curated metadata here, keyed by the stable resource id.
# scripts/build_resources.py merges these fields into generated JSON/CSV artifacts.
#
# Enrichment values should be source-verifiable. Controlled vocabulary fields are
# validated against data/vocabulary.yml.
resources:
scgpt:
entities: [cell, gene]
methods: [generative-model, self-supervised-learning, transformer]
modalities: [multi-omics, single-cell-rna-seq, transcriptomics]
tasks:
- cell-type-annotation
- foundation-model-pretraining
- gene-regulatory-network-inference
- perturbation-prediction
- representation-learning
year: 2024
github: https://github.com/bowang-lab/scGPT
documentation: https://scgpt.readthedocs.io/en/latest/
paper: https://www.nature.com/articles/s41592-024-02201-0
last_checked: 2026-08-08
metadata_sources:
- https://github.com/bowang-lab/scGPT
- https://www.nature.com/articles/s41592-024-02201-0
geneformer:
entities: [cell, gene]
methods: [self-supervised-learning, transformer]
modalities: [single-cell-rna-seq, transcriptomics]
tasks:
- classification
- foundation-model-pretraining
- perturbation-prediction
- representation-learning
year: 2023
documentation: https://geneformer.readthedocs.io/
paper: https://www.nature.com/articles/s41586-023-06139-9
last_checked: 2026-08-08
metadata_sources:
- https://huggingface.co/ctheodoris/Geneformer
- https://www.nature.com/articles/s41586-023-06139-9
scfoundation:
entities: [cell, gene]
methods: [self-supervised-learning, transformer]
modalities: [single-cell-rna-seq, transcriptomics]
tasks:
- cell-type-annotation
- drug-response-prediction
- foundation-model-pretraining
- perturbation-prediction
- representation-learning
year: 2024
github: https://github.com/biomap-research/scFoundation
paper: https://www.nature.com/articles/s41592-024-02305-7
last_checked: 2026-08-08
metadata_sources:
- https://github.com/biomap-research/scFoundation
- https://www.nature.com/articles/s41592-024-02305-7
genecompass:
entities: [cell, gene]
methods: [self-supervised-learning, transformer]
modalities: [single-cell-rna-seq, transcriptomics]
tasks: [foundation-model-pretraining, representation-learning]
year: 2024
github: https://github.com/xCompass-AI/GeneCompass
paper: https://www.nature.com/articles/s41422-024-01034-y
last_checked: 2026-08-08
metadata_sources:
- https://github.com/xCompass-AI/GeneCompass
- https://www.nature.com/articles/s41422-024-01034-y
uce:
entities: [cell]
methods: [self-supervised-learning]
modalities: [single-cell-rna-seq, transcriptomics]
tasks: [foundation-model-pretraining, representation-learning]
year: 2026
github: https://github.com/snap-stanford/UCE
paper: https://www.nature.com/articles/s41586-026-10689-z
last_checked: 2026-08-08
metadata_sources:
- https://github.com/snap-stanford/UCE
- https://www.nature.com/articles/s41586-026-10689-z
cellplm:
entities: [cell, gene]
methods: [self-supervised-learning, transformer]
modalities: [single-cell-rna-seq, transcriptomics]
tasks: [foundation-model-pretraining, representation-learning]
year: 2023
github: https://github.com/OmicsML/CellPLM
paper: https://www.biorxiv.org/content/10.1101/2023.10.03.560734v1
last_checked: 2026-08-08
metadata_sources:
- https://github.com/OmicsML/CellPLM
- https://www.biorxiv.org/content/10.1101/2023.10.03.560734v1
scbert:
entities: [cell, gene]
methods: [language-model, self-supervised-learning, transformer]
modalities: [single-cell-rna-seq, transcriptomics]
tasks: [cell-type-annotation, classification, foundation-model-pretraining]
year: 2022
github: https://github.com/TencentAILabHealthcare/scBERT
paper: https://www.nature.com/articles/s42256-022-00534-z
last_checked: 2026-08-08
metadata_sources:
- https://github.com/TencentAILabHealthcare/scBERT
- https://www.nature.com/articles/s42256-022-00534-z
File diff suppressed because it is too large Load Diff
@@ -2,9 +2,9 @@
title: "Awesome Computational Biology - machine-readable resource list"
task: ""
lineage_type: import
upstream_source: https://github.com/inoue0426/awesome-computational-biology/blob/478be843/data/resources.yml
upstream_sha: 478be843
imported_at: 2026-07-17
upstream_source: https://github.com/inoue0426/awesome-computational-biology/blob/7a064bf0/data/resources.yml
upstream_sha: 7a064bf0
imported_at: 2026-08-08
prompt_class: catalogue
upstream_changes: accepted
author: upstream
@@ -1678,6 +1678,17 @@ resources:
organism: []
api: false
- id: cellot
name: "CellOT"
type: model
url: https://github.com/bunnech/cellot
description: "Neural optimal transport framework for predicting single-cell responses to drug and genetic perturbations."
tags: [drug-discovery, drug-perturbation]
tasks: [Drug Discovery, Drug Perturbation]
modalities: [Small Molecule]
organism: []
api: false
- id: cellplm
name: "CellPLM"
type: model
@@ -1727,8 +1738,8 @@ resources:
type: model
url: https://github.com/theislab/chemCPA
description: "Compositional perturbation autoencoder for predicting single-cell transcriptional responses to unseen drug perturbations and dose combinations."
tags: [drug-discovery, drug-response-prediction]
tasks: [Drug Discovery, Drug Response Prediction]
tags: [drug-discovery, drug-perturbation]
tasks: [Drug Discovery, Drug Perturbation]
modalities: [Small Molecule]
organism: []
api: false
@@ -1755,6 +1766,17 @@ resources:
organism: []
api: false
- id: cmonge
name: "CMonge"
type: model
url: https://github.com/AI4SCR/conditional-monge-gap
description: "Conditional optimal transport model for generalizable single-cell perturbation response prediction across drugs and doses."
tags: [drug-discovery, drug-perturbation]
tasks: [Drug Discovery, Drug Perturbation]
modalities: [Small Molecule]
organism: []
api: false
- id: concerto
name: "Concerto"
type: model
@@ -1782,8 +1804,8 @@ resources:
type: model
url: https://github.com/hliulab/cycleCDR
description: "Interpretable cycle-consistency framework for modeling cellular responses to drug perturbations."
tags: [drug-discovery, drug-response-prediction]
tasks: [Drug Discovery, Drug Response Prediction]
tags: [drug-discovery, drug-perturbation]
tasks: [Drug Discovery, Drug Perturbation]
modalities: [Small Molecule]
organism: []
api: false
@@ -2475,8 +2497,8 @@ resources:
type: model
url: https://github.com/Perturbation-Response-Prediction/PRnet
description: "Deep generative model for predicting transcriptional responses to novel chemical perturbations for drug discovery."
tags: [drug-discovery, drug-response-prediction]
tasks: [Drug Discovery, Drug Response Prediction]
tags: [drug-discovery, drug-perturbation]
tasks: [Drug Discovery, Drug Perturbation]
modalities: [Small Molecule]
organism: []
api: false
@@ -0,0 +1,105 @@
---
title: "Canonical vocabulary for new AI4Bio enrichment metadata."
task: ""
lineage_type: import
upstream_source: https://github.com/inoue0426/awesome-computational-biology/blob/7a064bf0/data/vocabulary.yml
upstream_sha: 7a064bf0
imported_at: 2026-08-08
prompt_class: unknown
upstream_changes: accepted
author: upstream
validated: false
---
# Canonical vocabulary for new AI4Bio enrichment metadata.
#
# These values are enforced only for fields explicitly added through
# data/enrichment.yml. README-derived legacy values remain backward compatible.
# Canonical terms use lowercase kebab-case.
version: 1
controlled_fields:
entities:
- cell
- compound
- disease
- drug
- gene
- genome
- molecule
- organism
- pathway
- phenotype
- protein
- protein-complex
- regulatory-element
- tissue
- transcript
- variant
methods:
- autoencoder
- contrastive-learning
- convolutional-neural-network
- diffusion
- generative-model
- geometric-deep-learning
- graph-neural-network
- knowledge-graph
- language-model
- message-passing-neural-network
- multi-agent-system
- optimal-transport
- recurrent-neural-network
- reinforcement-learning
- retrieval-augmented-generation
- self-supervised-learning
- state-space-model
- supervised-learning
- transformer
- unsupervised-learning
- variational-autoencoder
modalities:
- cell-painting
- chemical-structure
- clinical
- dna-sequence
- electronic-health-record
- epigenomics
- genomics
- histopathology
- imaging
- knowledge-graph
- metabolomics
- molecular-structure
- multi-omics
- protein-sequence
- proteomics
- rna-sequence
- single-cell-rna-seq
- spatial-transcriptomics
- transcriptomics
tasks:
- batch-correction
- cell-type-annotation
- classification
- dimensionality-reduction
- docking
- drug-response-prediction
- drug-target-interaction
- foundation-model-pretraining
- gene-regulatory-network-inference
- imputation
- link-prediction
- molecular-generation
- perturbation-prediction
- protein-function-prediction
- protein-sequence-design
- regression
- representation-learning
- structure-prediction
- trajectory-inference
- virtual-screening
@@ -0,0 +1,73 @@
---
title: "AI4Bio Landscape Database"
task: ""
lineage_type: import
upstream_source: https://github.com/inoue0426/awesome-computational-biology/blob/7a064bf0/docs/AI4BIO_LANDSCAPE.md
upstream_sha: 7a064bf0
imported_at: 2026-08-08
prompt_class: catalogue
upstream_changes: accepted
author: upstream
validated: false
---
# AI4Bio Landscape Database
The landscape view treats the existing computational biology registry as a multidimensional database rather than a single hierarchical list.
## Design goals
- Keep the current curated resource records and generation pipeline intact.
- Expose orthogonal facets so one resource can be explored by resource type, biological/ML task, data modality, organism, and domain tag.
- Make the landscape useful without introducing a server or build-time dependency.
- Keep the data model extensible for richer AI4Bio metadata over time.
## Current facet model
The landscape UI derives the following dimensions from `docs/data/resources.json`:
| Dimension | Source field | Example values |
|---|---|---|
| Resource type | `type` | `database`, `benchmark`, `model`, `toolkit`, `api` |
| Task | `tasks` | `drug-response-prediction`, `cell-type-annotation`, `molecular-generation` |
| Modality | `modalities` | `transcriptomics`, `spatial-transcriptomics`, `protein-sequence` |
| Organism | `organism` | `human`, `mouse`, `multi-species` |
| Domain/tag | `tags` | `drug-discovery`, `single-cell`, `foundation-model` |
These are deliberately treated as separate axes. A model can therefore be, for example, a `model` that performs `perturbation-prediction` on `single-cell-rna-seq` data for `human` and carry tags such as `drug-discovery` and `foundation-model`.
## Recommended schema evolution
The current schema is compatible with a richer landscape database. New fields should be added incrementally and only when they can be curated consistently.
Suggested fields:
| Field | Type | Purpose |
|---|---|---|
| `entities` | array of strings | Biological entities such as `gene`, `protein`, `compound`, `cell`, `disease` |
| `methods` | array of strings | Method families such as `transformer`, `gnn`, `diffusion`, `optimal-transport` |
| `organizations` | array of strings | Primary organizations responsible for the resource |
| `year` | integer | Initial public release/publication year |
| `github` | string | Source repository when distinct from the canonical landing page |
| `documentation` | string | Documentation URL |
| `maintenance_status` | string | Curated status such as `active`, `maintenance`, `archived`, `unknown` |
| `last_checked` | string | Date the metadata/link was last manually or automatically checked |
Avoid adding dynamic popularity metrics such as GitHub stars directly to canonical records unless a reproducible refresh pipeline is introduced. Such values become stale quickly and should be stored as generated metadata rather than curated facts.
## Canonical-source policy
At present, `README.md` is the canonical curated list, with generated YAML/JSON/CSV artifacts. The landscape page intentionally consumes `docs/data/resources.json` without changing that policy.
A future migration may make `data/resources.yml` the canonical source once all README-only categorization semantics can be represented explicitly in structured fields. That migration should be a separate change because it changes contribution workflow and source-of-truth semantics.
## Landscape page
Open `docs/landscape.html` through GitHub Pages. It provides:
- full-text search across names, descriptions, tasks, modalities, organisms, and tags;
- filters for type, task, modality, organism, and tag;
- summary counts for resources and major dimensions;
- frequency bars recalculated for the current filtered result set;
- direct resource and paper links;
- client-side rendering with no additional dependencies.
@@ -0,0 +1,72 @@
---
title: "Foundation Model Enrichment"
task: ""
lineage_type: import
upstream_source: https://github.com/inoue0426/awesome-computational-biology/blob/7a064bf0/docs/FOUNDATION_MODEL_ENRICHMENT.md
upstream_sha: 7a064bf0
imported_at: 2026-08-08
prompt_class: catalogue
upstream_changes: accepted
author: upstream
validated: false
---
# Foundation Model Enrichment
This document tracks the first curated metadata-enrichment pass for AI4Bio foundation models.
## Scope
The initial pass focuses on representative single-cell and transcriptomics foundation models already present in the resource registry, beginning with:
- scGPT
- Geneformer
The scope may be expanded incrementally once the curation rules below are validated in practice.
## Curation rules
Metadata must be supported by at least one primary or official source:
- official project repository or model card;
- official documentation;
- primary peer-reviewed publication or preprint.
Unknown or ambiguous metadata is omitted rather than inferred.
For each resource, curate fields where evidence is available:
- `entities`
- `methods`
- `organizations`
- `year`
- `github`
- `documentation`
- `maintenance_status`
- `last_checked`
- `metadata_sources`
`maintenance_status` should only be marked `active` when there is direct evidence of ongoing maintenance, such as a recent official release or repository activity. Otherwise use `unknown` or omit the field.
## Initial evidence targets
### scGPT
Primary evidence should include the official `bowang-lab/scGPT` repository and the Nature Methods publication.
### Geneformer
Primary evidence should include the official `ctheodoris/Geneformer` model repository/model card and the primary Nature publication.
## Completion criteria
A resource is considered enriched when:
1. all added metadata is supported by `metadata_sources`;
2. no unsupported organization, method, year, or maintenance claim is introduced;
3. generated JSON/CSV artifacts are regenerated and committed;
4. schema validation and resource-consistency CI checks pass.
## Provenance
This enrichment pass is being prepared with assistance from OpenAI GPT-5.6 Sol. Final metadata is intended to remain source-verifiable and reviewable through the recorded provenance URLs.
@@ -0,0 +1,21 @@
---
title: "AI4Bio data files"
task: ""
lineage_type: import
upstream_source: https://github.com/inoue0426/awesome-computational-biology/blob/7a064bf0/docs/data/README.md
upstream_sha: 7a064bf0
imported_at: 2026-08-08
prompt_class: catalogue
upstream_changes: accepted
author: upstream
validated: false
---
# AI4Bio data files
- `resources.json`: generated merged resource registry consumed by GitHub Pages.
- `resource.schema.json`: JSON Schema 2020-12 contract for one resource object.
- `SCHEMA.md`: original schema notes.
- `SCHEMA_V2.md`: richer AI4Bio landscape schema and enrichment workflow.
The enriched build path is `scripts/build_resources_v2.py`, which combines `data/resources.yml` with `data/enrichment.yml` and runs `scripts/validate_resources.py` before writing artifacts.
@@ -0,0 +1,132 @@
---
title: "AI4Bio Resource Schema v2"
task: ""
lineage_type: import
upstream_source: https://github.com/inoue0426/awesome-computational-biology/blob/7a064bf0/docs/data/SCHEMA_V2.md
upstream_sha: 7a064bf0
imported_at: 2026-08-08
prompt_class: catalogue
upstream_changes: accepted
author: upstream
validated: false
---
# AI4Bio Resource Schema v2
This document defines the richer landscape metadata layered on top of the curated Awesome Computational Biology list.
## Source model
The repository intentionally separates **membership/basic metadata** from **landscape enrichment**:
1. `README.md` is the canonical curated resource list.
2. `scripts/sync_resources_from_readme.py` derives `data/resources.yml` from README headings and bullets.
3. `data/enrichment.yml` stores richer metadata keyed by stable resource `id`.
4. `data/vocabulary.yml` defines canonical terms for controlled enrichment dimensions.
5. `scripts/build_resources.py` merges base records and enrichment, validates them, and writes `data/resources.json`, `data/resources.csv`, and `docs/data/resources.json`.
This separation prevents hand-curated AI4Bio metadata from being erased by README synchronization.
## Core identity fields
These fields are required and may not be overridden by `data/enrichment.yml`:
| Field | Type | Meaning |
|---|---|---|
| `id` | string | Stable lowercase `snake_case` identifier |
| `name` | string | Official display name |
| `type` | enum | `api`, `benchmark`, `database`, `model`, `resource`, or `toolkit` |
| `url` | URL | Canonical landing page |
| `description` | string | Short factual description |
## Landscape dimensions
| Field | Type | Meaning |
|---|---|---|
| `tasks` | string[] | Biological or ML tasks performed |
| `modalities` | string[] | Input/output data modalities |
| `organism` | string[] | Covered organisms or species groups |
| `entities` | string[] | Biological entities: gene, protein, compound, cell, disease, etc. |
| `methods` | string[] | Method families: transformer, GNN, diffusion, optimal transport, etc. |
| `tags` | string[] | Broad domain and curation labels |
| `organizations` | string[] | Organizations maintaining or primarily responsible for the resource |
These dimensions are deliberately orthogonal. Do not encode a task as a modality or a biological entity as a resource type.
## Controlled vocabulary
New values added through `data/enrichment.yml` for `entities`, `methods`, `modalities`, and `tasks` must use canonical terms from `data/vocabulary.yml`.
Canonical terms use lowercase kebab-case, for example:
```yaml
entities: [cell, gene]
methods: [transformer, self-supervised-learning]
modalities: [single-cell-rna-seq, transcriptomics]
tasks: [foundation-model-pretraining, cell-type-annotation]
```
This rule is intentionally applied only to enrichment metadata. Existing README-derived values remain valid for backward compatibility and can be migrated separately without blocking routine resource updates.
When a required concept is missing, add a reusable canonical term to `data/vocabulary.yml` instead of inventing a one-off spelling in an enrichment record. `tags`, `organism`, and `organizations` remain free-form because their vocabularies are broader or context dependent.
## Provenance and lifecycle fields
| Field | Type | Meaning |
|---|---|---|
| `year` | integer | Initial public release or primary publication year |
| `github` | URL | Source repository when available |
| `documentation` | URL | Documentation landing page |
| `paper` | URL | Primary publication or preprint |
| `license` | string | SPDX identifier preferred |
| `api` | boolean | Programmatic API availability |
| `access` | enum | `open`, `registration`, `restricted`, `commercial`, `unknown` |
| `maintenance_status` | enum | `active`, `maintenance`, `archived`, `unknown` |
| `updated` | date | Last-known upstream update date |
| `last_checked` | date | Date this repository verified the metadata |
| `metadata_sources` | URL[] | Sources supporting enriched metadata |
`last_checked` is a curation timestamp, not an upstream release date. `updated` should only be populated when an upstream update date is known.
## Enrichment rules
`data/enrichment.yml` is a mapping keyed by resource id:
```yaml
resources:
example_resource:
entities: [gene, disease]
methods: [transformer]
organizations: [Example Lab]
year: 2025
github: https://github.com/example/project
documentation: https://example.org/docs
maintenance_status: active
access: open
last_checked: 2026-08-08
metadata_sources:
- https://example.org/about
```
Enrichment cannot override `id`, `name`, `type`, `url`, or `description`. A referenced id must already exist in `data/resources.yml`.
## Validation contract
`python scripts/validate_resources.py` checks:
- required fields and field types;
- stable id format and id uniqueness;
- allowed enum values;
- HTTP(S) URL shape;
- ISO `YYYY-MM-DD` dates;
- list uniqueness and non-empty values;
- enrichment references and forbidden identity overrides;
- controlled enrichment terms against `data/vocabulary.yml`;
- vocabulary uniqueness and lowercase kebab-case normalization;
- unknown field names.
The machine-readable resource counterpart is `docs/data/resource.schema.json` (JSON Schema 2020-12). Controlled vocabulary enforcement is performed at the enrichment layer because legacy README-derived values intentionally remain backward compatible.
## Curation guidance
Prefer verified metadata over exhaustive metadata. Unknown fields should be omitted rather than guessed. For facts likely to change, include `last_checked` and at least one `metadata_sources` URL. Dynamic popularity metrics such as GitHub stars should remain generated telemetry rather than canonical curated fields.
@@ -0,0 +1,53 @@
---
title: "Resource.Schema"
task: ""
lineage_type: import
upstream_source: https://github.com/inoue0426/awesome-computational-biology/blob/7a064bf0/docs/data/resource.schema.json
upstream_sha: 7a064bf0
imported_at: 2026-08-08
prompt_class: catalogue
upstream_changes: accepted
author: upstream
validated: false
---
{
"$schema": "https://json-schema.org/draft/2020-12/schema",
"$id": "https://inoue0426.github.io/awesome-computational-biology/data/resource.schema.json",
"title": "AI4Bio Resource",
"type": "object",
"required": ["id", "name", "type", "url", "description"],
"additionalProperties": false,
"properties": {
"id": {"type": "string", "pattern": "^[a-z0-9]+(?:_[a-z0-9]+)*$"},
"name": {"type": "string", "minLength": 1},
"type": {"enum": ["api", "benchmark", "database", "model", "resource", "toolkit"]},
"url": {"type": "string", "format": "uri", "pattern": "^https?://"},
"description": {"type": "string", "minLength": 1},
"tags": {"$ref": "#/$defs/stringArray"},
"tasks": {"$ref": "#/$defs/stringArray"},
"modalities": {"$ref": "#/$defs/stringArray"},
"organism": {"$ref": "#/$defs/stringArray"},
"entities": {"$ref": "#/$defs/stringArray"},
"methods": {"$ref": "#/$defs/stringArray"},
"organizations": {"$ref": "#/$defs/stringArray"},
"metadata_sources": {"type": "array", "items": {"type": "string", "format": "uri", "pattern": "^https?://"}, "uniqueItems": true},
"license": {"type": "string"},
"api": {"type": "boolean"},
"paper": {"type": "string", "format": "uri", "pattern": "^https?://"},
"github": {"type": "string", "format": "uri", "pattern": "^https://github\\.com/"},
"documentation": {"type": "string", "format": "uri", "pattern": "^https?://"},
"year": {"type": "integer", "minimum": 1900, "maximum": 2100},
"maintenance_status": {"enum": ["active", "maintenance", "archived", "unknown"]},
"access": {"enum": ["open", "registration", "restricted", "commercial", "unknown"]},
"updated": {"type": "string", "format": "date"},
"last_checked": {"type": "string", "format": "date"}
},
"$defs": {
"stringArray": {
"type": "array",
"items": {"type": "string", "minLength": 1},
"uniqueItems": true
}
}
}
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