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6 changed files with 158 additions and 909 deletions
@@ -2,9 +2,9 @@
title: "Readme"
task: ""
lineage_type: import
upstream_source: https://github.com/ai-boost/awesome-ai-for-science/blob/ec6f3650/README.md
upstream_sha: ec6f3650
imported_at: 2026-08-21
upstream_source: https://github.com/ai-boost/awesome-ai-for-science/blob/e0557705/README.md
upstream_sha: e0557705
imported_at: 2026-08-23
prompt_class: catalogue
upstream_changes: accepted
author: upstream
@@ -307,6 +307,7 @@ validated: false
- [Scholar Loop](https://github.com/renee-jia/scholar-loop) - Autonomous multi-agent AI scientist that mirrors a PhD workflow: literature review → grounded hypothesis → real ML experiments → self-critique → write-up; features a deterministic harness with frozen-metric scoring, edit allowlists, and a verified registry to make reward-hacking and hallucination impossible, plus 108 unit tests runnable without API keys or GPUs (461+ stars, MIT License, 2026)
- [ResearchStudio (Microsoft)](https://github.com/microsoft/ResearchStudio) - AI co-author covering the entire research lifecycle — from an under-specified research direction to a published paper; includes ResearchStudio-Idea for evidence-grounded research ideation and ResearchStudio-Reel for turning finished papers into posters, narrated videos, blogs, and interactive reels; runs as skills on Claude Code and Codex (1.2K+ stars, MIT License, 2026)
- [Principia](https://github.com/pzqpzq/Principia) - Principle-first scientific idea discovery framework that extracts reusable principles from public literature and private research materials, composes them into traceable Idea Cards with prior-art comparisons, and exports validation-ready research packs; emphasizes inspectable scientific objects, risk disclosure, and falsification paths (ICML 2026, 411+ stars, MIT License)
- [Imbue Catalyst](https://github.com/imbue-ai/catalyst) - Semi-autonomous AI scientist for scientific theory discovery and verifiable goal solving, using adversarial review-refinement loops and evolution-inspired candidate populations; integrates with Claude Code, Gemini CLI, Antigravity, and Codex harnesses (Imbue, 31+ stars, AGPL-3.0, 2026)
### Evaluation & Benchmarking
- [ScienceAgentBench (ICLR 2025)](https://github.com/OSU-NLP-Group/ScienceAgentBench) - 102 executable tasks from 44 peer-reviewed papers across 4 disciplines with containerized evaluation
@@ -706,6 +707,7 @@ validated: false
#### Materials Discovery
- [GNoME](https://github.com/google-deepmind/materials_discovery) - DeepMind's graph neural network for materials exploration, discovering 2.2M new crystal structures (380K most stable) equivalent to 800 years of traditional research, with 520K+ materials dataset open-sourced (Nature 2023)
- [FAIRChem (OMat24)](https://github.com/FAIR-Chem/fairchem) - Meta's comprehensive ML ecosystem for materials/chemistry with 118M+ DFT calculations, EquiformerV2 models achieving top Matbench Discovery performance
- [Skala 1.1 (Microsoft Research, 2026)](https://github.com/microsoft/skala) - Neural network-based exchange-correlation functional for density functional theory (DFT) that surpasses state-of-the-art hybrid functionals in accuracy for main-group thermochemistry, kinetics, and non-covalent interactions at semi-local DFT cost; includes PySCF/GPU4PySCF/ASE bindings and C++/Fortran integrations (248+ stars, MIT License)
- [All-atom Diffusion Transformers (ADiT)](https://github.com/facebookresearch/all-atom-diffusion-transformer) - Unified latent diffusion transformer that jointly generates periodic crystals and non-periodic molecules, scaling to 500M parameters with SOTA results on QM9, MP20, and GEOM-DRUGS (Meta FAIR, ICML 2025, 310+ stars)
- [JARVIS](https://github.com/usnistgov/jarvis) - NIST's open-source platform for data-driven atomistic materials design, integrating DFT datasets (JARVIS-DFT), machine learning property prediction (JARVIS-ML), and a comprehensive leaderboard for benchmarking materials AI methods across the periodic table (384+ stars)
- [NVIDIA ALCHEMI Toolkit](https://github.com/NVIDIA/nvalchemi-toolkit) - Developer toolkit for accelerating training and inference for AI in chemistry and material science, providing optimized GPU-accelerated workflows for molecular and materials machine learning (NVIDIA, 2026)
@@ -744,6 +746,7 @@ validated: false
- [Neural ODEs](https://github.com/rtqichen/torchdiffeq) - Differential equations with neural networks
- [Physics-Informed Neural Networks](https://github.com/maziarraissi/PINNs) - Physics-constrained ML
- [EquiformerV2](https://github.com/atomicarchitects/equiformer_v2) - Improved equivariant Transformer for 3D atomic graphs (ICLR2024)
- [EquiformerV3](https://github.com/atomicarchitects/equiformer_v3) - Scaling efficient, expressive, and general SE(3)-equivariant graph attention transformers for atomic systems and machine-learned interatomic potentials (MIT License, 2026)
- [Equiformer](https://github.com/atomicarchitects/equiformer) - Equivariant graph attention Transformer (ICLR2023)
- [TORAX](https://github.com/google-deepmind/torax) - Differentiable tokamak core transport simulator for fusion energy research, coupling PDE solvers with JAX auto-differentiation and neural-network surrogates for fast forward modelling, pulse-design, and trajectory optimization (Google DeepMind, Apache 2.0)
- [DiffPhysDrone (Nature Machine Intelligence 2025)](https://github.com/HenryHuYu/DiffPhysDrone) - First real quadrotor robot trained end-to-end with differentiable physics for vision-based agile flight, bridging simulation-based learning and real-world deployment with physics-informed neural network controllers (558+ stars)
@@ -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/c6f07d90/README.md
upstream_sha: c6f07d90
imported_at: 2026-08-31
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
@@ -75,7 +75,6 @@ Browse and search the resources via the [GitHub Pages UI](https://inoue0426.gith
- [Drug Target Interaction](#drug-target-interaction)
- [Compound-Protein Interaction](#compound-protein-interaction)
- [Molecular Generation](#molecular-generation)
- [Protein Property Prediction](#protein-property-prediction)
- [LLM for Biology](#llm-for-biology)
- [Foundation Models](#foundation-models)
- [Single-cell Foundation Models](#single-cell-foundation-models)
@@ -160,7 +159,6 @@ Browse and search the resources via the [GitHub Pages UI](https://inoue0426.gith
- [GenBank](https://www.ncbi.nlm.nih.gov/genbank/) — NCBI's database of genetic sequences.
- [UCSC Genome Browser](https://genome.ucsc.edu/) — UCSC's genome browser.
- [cBioPortal](https://www.cbioportal.org/) — Cancer genomics database; aggregating many patient datasets.
- [OncoKB](https://www.oncokb.org/) — Precision oncology knowledge base of cancer genes, variants, and therapeutic implications.
- [10x Genomics Dataset](https://www.10xgenomics.com/resources/datasets) — Collection of single-cell datasets.
- [The Genotype-Tissue Expression (GTEx)](https://gtexportal.org/home/) — Human gene expression and regulation resource.
- [Dependency Map (DepMap)](https://depmap.org/portal/) — CRISPR-Cas9 screens in cancer cell lines.
@@ -318,7 +316,7 @@ Browse and search the resources via the [GitHub Pages UI](https://inoue0426.gith
- [CellCharter](https://github.com/CSOgroup/cellcharter) — Identification and characterization of spatial cell niches from spatial transcriptomics using VAEs and Gaussian mixture models.
- [STAGATE](https://github.com/RucDongLab/STAGATE) — Adaptive graph attention auto-encoder for spatial domain identification in spatial transcriptomics.
- [NCEM](https://github.com/theislab/ncem) — GNN-based model for learning intercellular communication from spatial graphs of cells.
- [DeepTalk](https://github.com/JiangBioLab/DeepTalk) — Graph attention network for deciphering cell-cell communication from spatial transcriptomics.
- [DeepTalk](https://github.com/JiangBioLab/DeepTalk) — Graph attention network for deciphering cell-cell communication from spatial transcriptomics data.
- [COMMOT](https://github.com/zcang/COMMOT) — Optimal transport-based framework for screening cell-cell communication in spatial transcriptomics.
- [TIGON](https://github.com/yutongo/TIGON) — Neural optimal transport method for reconstructing growth and dynamic trajectories from single-cell transcriptomics.
- [LINGER](https://github.com/Durenlab/LINGER) — Neural network for gene regulatory network inference from single-cell multiome (RNA+ATAC-seq) data with bulk data pretraining.
@@ -385,10 +383,6 @@ Browse and search the resources via the [GitHub Pages UI](https://inoue0426.gith
- [ReLeaSE](https://github.com/isayev/ReLeaSE) — Deep reinforcement learning framework for de novo drug design combining a generative and predictive model.
- [PaccMannRL](https://github.com/PaccMann/paccmann_generator) — Reinforcement learning-based generative model for de novo hit-like anticancer molecule design from transcriptomic data.
### Protein Property Prediction
- [NbBayesLM](https://github.com/FairuzShadmaniShishir/NbBayesLM) — Bayesian neural network integrating protein language model embeddings and physicochemical features to predict nanobody thermostability with uncertainty estimates. [Paper](https://www.frontiersin.org/journals/bioinformatics/articles/10.3389/fbinf.2026.1832968/full)
### LLM for Biology
- [AI4Chem/ChemLLM-7B-Chat](https://huggingface.co/AI4Chem/ChemLLM-7B-Chat) — LLM for chemical & molecular science.
@@ -445,7 +439,7 @@ Browse and search the resources via the [GitHub Pages UI](https://inoue0426.gith
- [GeneCompass](https://github.com/xCompass-AI/GeneCompass) — Large-scale foundation model integrating DNA regulatory sequences and single-cell transcriptomics from 120M+ cells across multiple species for gene regulation prediction.
- [UnitedNet](https://github.com/LiuLab-Bioelectronics-Harvard/UnitedNet) — Interpretable multi-task deep neural network for single-cell multi-omics integration spanning transcriptomics, chromatin accessibility, and proteomics.
- [SpatialGlue](https://github.com/zhanglabtools/SpatialGlue) — Graph attention network for spatial multi-omics integration jointly embedding spatial transcriptomics with chromatin accessibility or proteomics.
- [MIDAS](https://github.com/labomics/midas) — Mosaic integration and differential accessibility model for single-cell multi-omics that handles arbitrary missing-modality combinations across transcriptomics, chromatin accessibility, and proteomics.
- [MIDAS](https://github.com/labomics/midas) — Mosaic integration and differential accessibility model for single-cell multi-omics data that handles arbitrary missing-modality combinations across transcriptomics, chromatin accessibility, and proteomics.
- [Concerto](https://github.com/melobio/Concerto-reproducibility) — Contrastive self-supervised learning framework for single-cell multimodal data integration, batch correction, and reference-query mapping.
- [scButterfly](https://github.com/BioX-NKU/scButterfly) — Dual-aligned variational autoencoder for single-cell cross-modality translation between paired and unpaired multiomics data.
- [JAMIE](https://github.com/Oafish1/JAMIE) — Joint variational autoencoder for multimodal single-cell data imputation and embedding.
@@ -527,7 +521,6 @@ If you use this list in papers, slides, or documentation, please cite this repos
To keep quality high, additions should meet all of the following:
- The resource is trustworthy and relevant to computational biology.
- The resource has clear value to the scope and audience of this collection; highly specialized resources with limited relevance beyond a narrow application context may be declined even when technically sound.
- The primary link points to an official source (official docs, organization site, maintained repository, or official dataset page).
- The resource has evidence of technical substance: ideally a peer-reviewed paper; at minimum a preprint or official technical documentation.
- The description is factual and concise (no marketing copy).
@@ -2,9 +2,9 @@
title: "Cspell"
task: ""
lineage_type: import
upstream_source: https://github.com/inoue0426/awesome-computational-biology/blob/c6f07d90/cspell.json
upstream_sha: c6f07d90
imported_at: 2026-08-31
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
@@ -59,7 +59,6 @@ validated: false
"eukaryotic",
"metabolites",
"OMIM",
"OncoKB",
"Mendelian",
"DisGeNET",
"GWAS",
@@ -172,9 +171,7 @@ validated: false
"bowang",
"ctheodoris",
"OpenAI",
"GPT",
"nanobody",
"thermostability"
"GPT"
],
"ignorePaths": [
"node_modules/**"
@@ -2,9 +2,9 @@
title: "Resources"
task: ""
lineage_type: import
upstream_source: https://github.com/inoue0426/awesome-computational-biology/blob/c6f07d90/data/resources.json
upstream_sha: c6f07d90
imported_at: 2026-08-31
upstream_source: https://github.com/inoue0426/awesome-computational-biology/blob/7a064bf0/data/resources.json
upstream_sha: 7a064bf0
imported_at: 2026-08-08
prompt_class: catalogue
upstream_changes: accepted
author: upstream
@@ -899,20 +899,10 @@ validated: false
],
"tasks": [],
"modalities": [
"single-cell-rna-seq",
"genomics"
"Genomics"
],
"organism": [],
"api": false,
"entities": [
"cell",
"gene"
],
"documentation": "https://www.10xgenomics.com/resources/datasets",
"last_checked": "2026-08-08",
"metadata_sources": [
"https://www.10xgenomics.com/resources/datasets"
]
"api": false
},
{
"id": "alphafold_protein_structure_database",
@@ -925,20 +915,10 @@ validated: false
],
"tasks": [],
"modalities": [
"molecular-structure",
"protein-sequence"
"Protein"
],
"organism": [],
"api": false,
"entities": [
"protein"
],
"documentation": "https://alphafold.ebi.ac.uk/api-docs",
"last_checked": "2026-08-08",
"metadata_sources": [
"https://alphafold.ebi.ac.uk/",
"https://alphafold.ebi.ac.uk/api-docs"
]
"api": false
},
{
"id": "bindingdb",
@@ -952,20 +932,11 @@ validated: false
],
"tasks": [],
"modalities": [
"chemical-structure",
"molecular-structure"
"Protein",
"Small Molecule"
],
"organism": [],
"api": false,
"entities": [
"molecule",
"protein"
],
"documentation": "https://www.bindingdb.org/rwd/bind/index.jsp",
"last_checked": "2026-08-08",
"metadata_sources": [
"https://www.bindingdb.org/rwd/bind/index.jsp"
]
"api": false
},
{
"id": "biocyc",
@@ -978,20 +949,10 @@ validated: false
],
"tasks": [],
"modalities": [
"genomics"
"Pathway"
],
"organism": [],
"api": false,
"entities": [
"gene",
"pathway",
"organism"
],
"documentation": "https://biocyc.org/",
"last_checked": "2026-08-08",
"metadata_sources": [
"https://biocyc.org/"
]
"api": false
},
{
"id": "biogrid",
@@ -1008,16 +969,7 @@ validated: false
"Protein"
],
"organism": [],
"api": false,
"entities": [
"gene",
"protein"
],
"documentation": "https://thebiogrid.org/",
"last_checked": "2026-08-08",
"metadata_sources": [
"https://thebiogrid.org/"
]
"api": false
},
{
"id": "cancer_cell_line_encyclopedia",
@@ -1031,22 +983,11 @@ validated: false
],
"tasks": [],
"modalities": [
"genomics",
"transcriptomics"
"Gene Expression",
"Small Molecule"
],
"organism": [],
"api": false,
"entities": [
"cell",
"gene",
"disease",
"drug"
],
"documentation": "https://sites.broadinstitute.org/ccle/",
"last_checked": "2026-08-08",
"metadata_sources": [
"https://sites.broadinstitute.org/ccle/"
]
"api": false
},
{
"id": "catalogue_of_somatic_mutations_in_cancer_cosmic",
@@ -1059,20 +1000,10 @@ validated: false
],
"tasks": [],
"modalities": [
"genomics"
"Genomics"
],
"organism": [],
"api": false,
"entities": [
"disease",
"gene",
"variant"
],
"documentation": "https://cancer.sanger.ac.uk/cosmic",
"last_checked": "2026-08-08",
"metadata_sources": [
"https://cancer.sanger.ac.uk/cosmic"
]
"api": false
},
{
"id": "cath_database",
@@ -1085,19 +1016,10 @@ validated: false
],
"tasks": [],
"modalities": [
"molecular-structure",
"protein-sequence"
"Protein"
],
"organism": [],
"api": false,
"entities": [
"protein"
],
"documentation": "https://www.cathdb.info/",
"last_checked": "2026-08-08",
"metadata_sources": [
"https://www.cathdb.info/"
]
"api": false
},
{
"id": "cbioportal",
@@ -1110,23 +1032,10 @@ validated: false
],
"tasks": [],
"modalities": [
"genomics",
"clinical"
"Genomics"
],
"organism": [],
"api": false,
"entities": [
"disease",
"gene",
"variant"
],
"github": "https://github.com/cBioPortal/cbioportal",
"documentation": "https://www.cbioportal.org/",
"last_checked": "2026-08-08",
"metadata_sources": [
"https://www.cbioportal.org/",
"https://github.com/cBioPortal/cbioportal"
]
"api": false
},
{
"id": "cellminer_cross_database_cellminercdb",
@@ -1183,20 +1092,10 @@ validated: false
],
"tasks": [],
"modalities": [
"chemical-structure"
"Small Molecule"
],
"organism": [],
"api": false,
"entities": [
"compound",
"molecule",
"protein"
],
"documentation": "https://www.ebi.ac.uk/chembl/",
"last_checked": "2026-08-08",
"metadata_sources": [
"https://www.ebi.ac.uk/chembl/"
]
"api": false
},
{
"id": "chemspider",
@@ -1225,19 +1124,10 @@ validated: false
],
"tasks": [],
"modalities": [
"clinical"
"Clinical"
],
"organism": [],
"api": false,
"entities": [
"disease",
"drug"
],
"documentation": "https://clinicaltrials.gov/",
"last_checked": "2026-08-08",
"metadata_sources": [
"https://clinicaltrials.gov/"
]
"api": false
},
{
"id": "comparative_toxicogenomics_database",
@@ -1251,20 +1141,11 @@ validated: false
],
"tasks": [],
"modalities": [
"knowledge-graph"
"Gene",
"Small Molecule"
],
"organism": [],
"api": false,
"entities": [
"compound",
"gene",
"disease"
],
"documentation": "https://ctdbase.org/",
"last_checked": "2026-08-08",
"metadata_sources": [
"https://ctdbase.org/"
]
"api": false
},
{
"id": "critical_assessment_of_structure_prediction_casp",
@@ -1293,21 +1174,10 @@ validated: false
],
"tasks": [],
"modalities": [
"single-cell-rna-seq",
"transcriptomics"
"Single Cell"
],
"organism": [],
"api": false,
"entities": [
"cell",
"gene",
"tissue"
],
"documentation": "https://cellxgene.cziscience.com/",
"last_checked": "2026-08-08",
"metadata_sources": [
"https://cellxgene.cziscience.com/"
]
"api": false
},
{
"id": "davis_kinase_inhibitors_db",
@@ -1338,21 +1208,10 @@ validated: false
],
"tasks": [],
"modalities": [
"genomics"
"Genomics"
],
"organism": [],
"api": false,
"entities": [
"cell",
"gene",
"disease",
"drug"
],
"documentation": "https://depmap.org/portal/",
"last_checked": "2026-08-08",
"metadata_sources": [
"https://depmap.org/portal/"
]
"api": false
},
{
"id": "dgidb",
@@ -1366,19 +1225,11 @@ validated: false
],
"tasks": [],
"modalities": [
"knowledge-graph"
"Gene",
"Small Molecule"
],
"organism": [],
"api": false,
"entities": [
"drug",
"gene"
],
"documentation": "https://www.dgidb.org/",
"last_checked": "2026-08-08",
"metadata_sources": [
"https://www.dgidb.org/"
]
"api": false
},
{
"id": "diseases",
@@ -1441,21 +1292,10 @@ validated: false
],
"tasks": [],
"modalities": [
"knowledge-graph"
"Knowledge Graph"
],
"organism": [],
"api": false,
"entities": [
"drug",
"disease",
"gene",
"pathway"
],
"github": "https://github.com/SuLab/DrugMechDB",
"last_checked": "2026-08-08",
"metadata_sources": [
"https://github.com/SuLab/DrugMechDB"
]
"api": false
},
{
"id": "drug_repurposing_hub",
@@ -1468,20 +1308,10 @@ validated: false
],
"tasks": [],
"modalities": [
"chemical-structure"
"Small Molecule"
],
"organism": [],
"api": false,
"entities": [
"drug",
"protein",
"disease"
],
"documentation": "https://repo-hub.broadinstitute.org/repurposing",
"last_checked": "2026-08-08",
"metadata_sources": [
"https://repo-hub.broadinstitute.org/repurposing"
]
"api": false
},
{
"id": "drugbank",
@@ -1519,20 +1349,10 @@ validated: false
],
"tasks": [],
"modalities": [
"chemical-structure"
"Small Molecule"
],
"organism": [],
"api": false,
"entities": [
"drug",
"protein",
"disease"
],
"documentation": "https://drugcentral.org/",
"last_checked": "2026-08-08",
"metadata_sources": [
"https://drugcentral.org/"
]
"api": false
},
{
"id": "drugtargetcommons",
@@ -1545,19 +1365,10 @@ validated: false
],
"tasks": [],
"modalities": [
"chemical-structure"
"Small Molecule"
],
"organism": [],
"api": false,
"entities": [
"drug",
"protein"
],
"documentation": "https://drugtargetcommons.fimm.fi/",
"last_checked": "2026-08-08",
"metadata_sources": [
"https://drugtargetcommons.fimm.fi/"
]
"api": false
},
{
"id": "encode",
@@ -2125,22 +1936,6 @@ validated: false
"organism": [],
"api": false
},
{
"id": "oncokb",
"name": "OncoKB",
"type": "database",
"url": "https://www.oncokb.org/",
"description": "Precision oncology knowledge base of cancer genes, variants, and therapeutic implications.",
"tags": [
"genome"
],
"tasks": [],
"modalities": [
"Genomics"
],
"organism": [],
"api": false
},
{
"id": "open_targets_platform",
"name": "Open Targets Platform",
@@ -2588,18 +2383,10 @@ validated: false
],
"tasks": [],
"modalities": [
"protein-sequence"
"Protein"
],
"organism": [],
"api": false,
"entities": [
"protein"
],
"documentation": "https://www.uniprot.org/",
"last_checked": "2026-08-08",
"metadata_sources": [
"https://www.uniprot.org/"
]
"api": false
},
{
"id": "uniref",
@@ -4208,7 +3995,7 @@ validated: false
"name": "MIDAS",
"type": "model",
"url": "https://github.com/labomics/midas",
"description": "Mosaic integration and differential accessibility model for single-cell multi-omics that handles arbitrary missing-modality combinations across transcriptomics, chromatin accessibility, and proteomics.",
"description": "Mosaic integration and differential accessibility model for single-cell multi-omics data that handles arbitrary missing-modality combinations across transcriptomics, chromatin accessibility, and proteomics.",
"tags": [
"foundation-models",
"multi-omics-foundation-models",
@@ -4479,24 +4266,6 @@ validated: false
"organism": [],
"api": false
},
{
"id": "nbbayeslm",
"name": "NbBayesLM",
"type": "model",
"url": "https://github.com/FairuzShadmaniShishir/NbBayesLM",
"description": "Bayesian neural network integrating protein language model embeddings and physicochemical features to predict nanobody thermostability with uncertainty estimates. [Paper](https://www.frontiersin.org/journals/bioinformatics/articles/10.3389/fbinf.2026.1832968/full)",
"tags": [
"protein-property-prediction"
],
"tasks": [
"Protein Property Prediction"
],
"modalities": [
"Protein"
],
"organism": [],
"api": false
},
{
"id": "neodti",
"name": "NeoDTI",
@@ -5675,23 +5444,9 @@ validated: false
"tasks": [
"Preprocessing"
],
"modalities": [
"dna-sequence",
"protein-sequence"
],
"modalities": [],
"organism": [],
"api": false,
"entities": [
"gene",
"protein"
],
"github": "https://github.com/biopython/biopython",
"documentation": "https://biopython.org/wiki/Documentation",
"last_checked": "2026-08-08",
"metadata_sources": [
"https://github.com/biopython/biopython",
"https://biopython.org/"
]
"api": false
},
{
"id": "casper",
@@ -5721,22 +5476,9 @@ validated: false
"tasks": [
"Preprocessing"
],
"modalities": [
"spatial-transcriptomics"
],
"modalities": [],
"organism": [],
"api": false,
"entities": [
"cell",
"tissue"
],
"github": "https://github.com/CSOgroup/cellcharter",
"documentation": "https://cellcharter.readthedocs.io/",
"last_checked": "2026-08-08",
"metadata_sources": [
"https://github.com/CSOgroup/cellcharter",
"https://cellcharter.readthedocs.io/"
]
"api": false
},
{
"id": "cellchat",
@@ -5750,20 +5492,9 @@ validated: false
"tasks": [
"Preprocessing"
],
"modalities": [
"single-cell-rna-seq"
],
"modalities": [],
"organism": [],
"api": false,
"entities": [
"cell",
"gene"
],
"github": "https://github.com/sqjin/CellChat",
"last_checked": "2026-08-08",
"metadata_sources": [
"https://github.com/sqjin/CellChat"
]
"api": false
},
{
"id": "celltypist",
@@ -5775,24 +5506,11 @@ validated: false
"preprocessing-tools"
],
"tasks": [
"cell-type-annotation"
],
"modalities": [
"single-cell-rna-seq"
"Preprocessing"
],
"modalities": [],
"organism": [],
"api": false,
"entities": [
"cell",
"gene"
],
"github": "https://github.com/Teichlab/celltypist",
"documentation": "https://celltypist.readthedocs.io/",
"last_checked": "2026-08-08",
"metadata_sources": [
"https://github.com/Teichlab/celltypist",
"https://celltypist.readthedocs.io/"
]
"api": false
},
{
"id": "chatspatial",
@@ -5854,30 +5572,16 @@ validated: false
"tasks": [
"Preprocessing"
],
"modalities": [
"chemical-structure",
"molecular-structure"
],
"modalities": [],
"organism": [],
"api": false,
"entities": [
"molecule",
"protein"
],
"github": "https://github.com/deepchem/deepchem",
"documentation": "https://deepchem.readthedocs.io/",
"last_checked": "2026-08-08",
"metadata_sources": [
"https://github.com/deepchem/deepchem",
"https://deepchem.readthedocs.io/"
]
"api": false
},
{
"id": "deeptalk",
"name": "DeepTalk",
"type": "toolkit",
"url": "https://github.com/JiangBioLab/DeepTalk",
"description": "Graph attention network for deciphering cell-cell communication from spatial transcriptomics.",
"description": "Graph attention network for deciphering cell-cell communication from spatial transcriptomics data.",
"tags": [
"preprocessing-tools"
],
@@ -6092,21 +5796,9 @@ validated: false
"tasks": [
"Preprocessing"
],
"modalities": [
"chemical-structure"
],
"modalities": [],
"organism": [],
"api": false,
"entities": [
"molecule"
],
"github": "https://github.com/rdkit/rdkit",
"documentation": "https://www.rdkit.org/docs/",
"last_checked": "2026-08-08",
"metadata_sources": [
"https://github.com/rdkit/rdkit",
"https://www.rdkit.org/docs/"
]
"api": false
},
{
"id": "scanpy",
@@ -6120,22 +5812,9 @@ validated: false
"tasks": [
"Preprocessing"
],
"modalities": [
"single-cell-rna-seq"
],
"modalities": [],
"organism": [],
"api": false,
"entities": [
"cell",
"gene"
],
"github": "https://github.com/scverse/scanpy",
"documentation": "https://scanpy.readthedocs.io/en/stable/",
"last_checked": "2026-08-08",
"metadata_sources": [
"https://github.com/scverse/scanpy",
"https://scanpy.readthedocs.io/en/stable/"
]
"api": false
},
{
"id": "scenic",
@@ -6197,23 +5876,9 @@ validated: false
"tasks": [
"Preprocessing"
],
"modalities": [
"single-cell-rna-seq",
"multi-omics"
],
"modalities": [],
"organism": [],
"api": false,
"entities": [
"cell",
"gene"
],
"github": "https://github.com/scverse/scvi-tools",
"documentation": "https://docs.scvi-tools.org/",
"last_checked": "2026-08-08",
"metadata_sources": [
"https://github.com/scverse/scvi-tools",
"https://docs.scvi-tools.org/"
]
"api": false
},
{
"id": "seqbench",
@@ -6243,22 +5908,9 @@ validated: false
"tasks": [
"Preprocessing"
],
"modalities": [
"single-cell-rna-seq"
],
"modalities": [],
"organism": [],
"api": false,
"entities": [
"cell",
"gene"
],
"github": "https://github.com/satijalab/seurat",
"documentation": "https://satijalab.org/seurat/",
"last_checked": "2026-08-08",
"metadata_sources": [
"https://github.com/satijalab/seurat",
"https://satijalab.org/seurat/"
]
"api": false
},
{
"id": "squidpy",
@@ -6272,22 +5924,9 @@ validated: false
"tasks": [
"Preprocessing"
],
"modalities": [
"spatial-transcriptomics"
],
"modalities": [],
"organism": [],
"api": false,
"entities": [
"cell",
"tissue"
],
"github": "https://github.com/scverse/squidpy",
"documentation": "https://squidpy.readthedocs.io/",
"last_checked": "2026-08-08",
"metadata_sources": [
"https://github.com/scverse/squidpy",
"https://squidpy.readthedocs.io/"
]
"api": false
},
{
"id": "stagate",
@@ -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/c6f07d90/data/resources.yml
upstream_sha: c6f07d90
imported_at: 2026-08-31
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
@@ -1183,17 +1183,6 @@ resources:
organism: []
api: false
- id: oncokb
name: "OncoKB"
type: database
url: https://www.oncokb.org/
description: "Precision oncology knowledge base of cancer genes, variants, and therapeutic implications."
tags: [genome]
tasks: []
modalities: [Genomics]
organism: []
api: false
- id: open_targets_platform
name: "Open Targets Platform"
type: database
@@ -2254,7 +2243,7 @@ resources:
name: "MIDAS"
type: model
url: https://github.com/labomics/midas
description: "Mosaic integration and differential accessibility model for single-cell multi-omics that handles arbitrary missing-modality combinations across transcriptomics, chromatin accessibility, and proteomics."
description: "Mosaic integration and differential accessibility model for single-cell multi-omics data that handles arbitrary missing-modality combinations across transcriptomics, chromatin accessibility, and proteomics."
tags: [foundation-models, multi-omics-foundation-models, single-cell-foundation-models]
tasks: [Foundation Model]
modalities: [Multi-Omics, Single Cell]
@@ -2393,17 +2382,6 @@ resources:
organism: []
api: false
- id: nbbayeslm
name: "NbBayesLM"
type: model
url: https://github.com/FairuzShadmaniShishir/NbBayesLM
description: "Bayesian neural network integrating protein language model embeddings and physicochemical features to predict nanobody thermostability with uncertainty estimates. [Paper](https://www.frontiersin.org/journals/bioinformatics/articles/10.3389/fbinf.2026.1832968/full)"
tags: [protein-property-prediction]
tasks: [Protein Property Prediction]
modalities: [Protein]
organism: []
api: false
- id: neodti
name: "NeoDTI"
type: model
@@ -3002,7 +2980,7 @@ resources:
name: "DeepTalk"
type: toolkit
url: https://github.com/JiangBioLab/DeepTalk
description: "Graph attention network for deciphering cell-cell communication from spatial transcriptomics."
description: "Graph attention network for deciphering cell-cell communication from spatial transcriptomics data."
tags: [preprocessing-tools]
tasks: [Preprocessing]
modalities: []
@@ -2,9 +2,9 @@
title: "Resources"
task: ""
lineage_type: import
upstream_source: https://github.com/inoue0426/awesome-computational-biology/blob/c6f07d90/docs/data/resources.json
upstream_sha: c6f07d90
imported_at: 2026-08-31
upstream_source: https://github.com/inoue0426/awesome-computational-biology/blob/7a064bf0/docs/data/resources.json
upstream_sha: 7a064bf0
imported_at: 2026-08-08
prompt_class: catalogue
upstream_changes: accepted
author: upstream
@@ -899,20 +899,10 @@ validated: false
],
"tasks": [],
"modalities": [
"single-cell-rna-seq",
"genomics"
"Genomics"
],
"organism": [],
"api": false,
"entities": [
"cell",
"gene"
],
"documentation": "https://www.10xgenomics.com/resources/datasets",
"last_checked": "2026-08-08",
"metadata_sources": [
"https://www.10xgenomics.com/resources/datasets"
]
"api": false
},
{
"id": "alphafold_protein_structure_database",
@@ -925,20 +915,10 @@ validated: false
],
"tasks": [],
"modalities": [
"molecular-structure",
"protein-sequence"
"Protein"
],
"organism": [],
"api": false,
"entities": [
"protein"
],
"documentation": "https://alphafold.ebi.ac.uk/api-docs",
"last_checked": "2026-08-08",
"metadata_sources": [
"https://alphafold.ebi.ac.uk/",
"https://alphafold.ebi.ac.uk/api-docs"
]
"api": false
},
{
"id": "bindingdb",
@@ -952,20 +932,11 @@ validated: false
],
"tasks": [],
"modalities": [
"chemical-structure",
"molecular-structure"
"Protein",
"Small Molecule"
],
"organism": [],
"api": false,
"entities": [
"molecule",
"protein"
],
"documentation": "https://www.bindingdb.org/rwd/bind/index.jsp",
"last_checked": "2026-08-08",
"metadata_sources": [
"https://www.bindingdb.org/rwd/bind/index.jsp"
]
"api": false
},
{
"id": "biocyc",
@@ -978,20 +949,10 @@ validated: false
],
"tasks": [],
"modalities": [
"genomics"
"Pathway"
],
"organism": [],
"api": false,
"entities": [
"gene",
"pathway",
"organism"
],
"documentation": "https://biocyc.org/",
"last_checked": "2026-08-08",
"metadata_sources": [
"https://biocyc.org/"
]
"api": false
},
{
"id": "biogrid",
@@ -1008,16 +969,7 @@ validated: false
"Protein"
],
"organism": [],
"api": false,
"entities": [
"gene",
"protein"
],
"documentation": "https://thebiogrid.org/",
"last_checked": "2026-08-08",
"metadata_sources": [
"https://thebiogrid.org/"
]
"api": false
},
{
"id": "cancer_cell_line_encyclopedia",
@@ -1031,22 +983,11 @@ validated: false
],
"tasks": [],
"modalities": [
"genomics",
"transcriptomics"
"Gene Expression",
"Small Molecule"
],
"organism": [],
"api": false,
"entities": [
"cell",
"gene",
"disease",
"drug"
],
"documentation": "https://sites.broadinstitute.org/ccle/",
"last_checked": "2026-08-08",
"metadata_sources": [
"https://sites.broadinstitute.org/ccle/"
]
"api": false
},
{
"id": "catalogue_of_somatic_mutations_in_cancer_cosmic",
@@ -1059,20 +1000,10 @@ validated: false
],
"tasks": [],
"modalities": [
"genomics"
"Genomics"
],
"organism": [],
"api": false,
"entities": [
"disease",
"gene",
"variant"
],
"documentation": "https://cancer.sanger.ac.uk/cosmic",
"last_checked": "2026-08-08",
"metadata_sources": [
"https://cancer.sanger.ac.uk/cosmic"
]
"api": false
},
{
"id": "cath_database",
@@ -1085,19 +1016,10 @@ validated: false
],
"tasks": [],
"modalities": [
"molecular-structure",
"protein-sequence"
"Protein"
],
"organism": [],
"api": false,
"entities": [
"protein"
],
"documentation": "https://www.cathdb.info/",
"last_checked": "2026-08-08",
"metadata_sources": [
"https://www.cathdb.info/"
]
"api": false
},
{
"id": "cbioportal",
@@ -1110,23 +1032,10 @@ validated: false
],
"tasks": [],
"modalities": [
"genomics",
"clinical"
"Genomics"
],
"organism": [],
"api": false,
"entities": [
"disease",
"gene",
"variant"
],
"github": "https://github.com/cBioPortal/cbioportal",
"documentation": "https://www.cbioportal.org/",
"last_checked": "2026-08-08",
"metadata_sources": [
"https://www.cbioportal.org/",
"https://github.com/cBioPortal/cbioportal"
]
"api": false
},
{
"id": "cellminer_cross_database_cellminercdb",
@@ -1183,20 +1092,10 @@ validated: false
],
"tasks": [],
"modalities": [
"chemical-structure"
"Small Molecule"
],
"organism": [],
"api": false,
"entities": [
"compound",
"molecule",
"protein"
],
"documentation": "https://www.ebi.ac.uk/chembl/",
"last_checked": "2026-08-08",
"metadata_sources": [
"https://www.ebi.ac.uk/chembl/"
]
"api": false
},
{
"id": "chemspider",
@@ -1225,19 +1124,10 @@ validated: false
],
"tasks": [],
"modalities": [
"clinical"
"Clinical"
],
"organism": [],
"api": false,
"entities": [
"disease",
"drug"
],
"documentation": "https://clinicaltrials.gov/",
"last_checked": "2026-08-08",
"metadata_sources": [
"https://clinicaltrials.gov/"
]
"api": false
},
{
"id": "comparative_toxicogenomics_database",
@@ -1251,20 +1141,11 @@ validated: false
],
"tasks": [],
"modalities": [
"knowledge-graph"
"Gene",
"Small Molecule"
],
"organism": [],
"api": false,
"entities": [
"compound",
"gene",
"disease"
],
"documentation": "https://ctdbase.org/",
"last_checked": "2026-08-08",
"metadata_sources": [
"https://ctdbase.org/"
]
"api": false
},
{
"id": "critical_assessment_of_structure_prediction_casp",
@@ -1293,21 +1174,10 @@ validated: false
],
"tasks": [],
"modalities": [
"single-cell-rna-seq",
"transcriptomics"
"Single Cell"
],
"organism": [],
"api": false,
"entities": [
"cell",
"gene",
"tissue"
],
"documentation": "https://cellxgene.cziscience.com/",
"last_checked": "2026-08-08",
"metadata_sources": [
"https://cellxgene.cziscience.com/"
]
"api": false
},
{
"id": "davis_kinase_inhibitors_db",
@@ -1338,21 +1208,10 @@ validated: false
],
"tasks": [],
"modalities": [
"genomics"
"Genomics"
],
"organism": [],
"api": false,
"entities": [
"cell",
"gene",
"disease",
"drug"
],
"documentation": "https://depmap.org/portal/",
"last_checked": "2026-08-08",
"metadata_sources": [
"https://depmap.org/portal/"
]
"api": false
},
{
"id": "dgidb",
@@ -1366,19 +1225,11 @@ validated: false
],
"tasks": [],
"modalities": [
"knowledge-graph"
"Gene",
"Small Molecule"
],
"organism": [],
"api": false,
"entities": [
"drug",
"gene"
],
"documentation": "https://www.dgidb.org/",
"last_checked": "2026-08-08",
"metadata_sources": [
"https://www.dgidb.org/"
]
"api": false
},
{
"id": "diseases",
@@ -1441,21 +1292,10 @@ validated: false
],
"tasks": [],
"modalities": [
"knowledge-graph"
"Knowledge Graph"
],
"organism": [],
"api": false,
"entities": [
"drug",
"disease",
"gene",
"pathway"
],
"github": "https://github.com/SuLab/DrugMechDB",
"last_checked": "2026-08-08",
"metadata_sources": [
"https://github.com/SuLab/DrugMechDB"
]
"api": false
},
{
"id": "drug_repurposing_hub",
@@ -1468,20 +1308,10 @@ validated: false
],
"tasks": [],
"modalities": [
"chemical-structure"
"Small Molecule"
],
"organism": [],
"api": false,
"entities": [
"drug",
"protein",
"disease"
],
"documentation": "https://repo-hub.broadinstitute.org/repurposing",
"last_checked": "2026-08-08",
"metadata_sources": [
"https://repo-hub.broadinstitute.org/repurposing"
]
"api": false
},
{
"id": "drugbank",
@@ -1519,20 +1349,10 @@ validated: false
],
"tasks": [],
"modalities": [
"chemical-structure"
"Small Molecule"
],
"organism": [],
"api": false,
"entities": [
"drug",
"protein",
"disease"
],
"documentation": "https://drugcentral.org/",
"last_checked": "2026-08-08",
"metadata_sources": [
"https://drugcentral.org/"
]
"api": false
},
{
"id": "drugtargetcommons",
@@ -1545,19 +1365,10 @@ validated: false
],
"tasks": [],
"modalities": [
"chemical-structure"
"Small Molecule"
],
"organism": [],
"api": false,
"entities": [
"drug",
"protein"
],
"documentation": "https://drugtargetcommons.fimm.fi/",
"last_checked": "2026-08-08",
"metadata_sources": [
"https://drugtargetcommons.fimm.fi/"
]
"api": false
},
{
"id": "encode",
@@ -2125,22 +1936,6 @@ validated: false
"organism": [],
"api": false
},
{
"id": "oncokb",
"name": "OncoKB",
"type": "database",
"url": "https://www.oncokb.org/",
"description": "Precision oncology knowledge base of cancer genes, variants, and therapeutic implications.",
"tags": [
"genome"
],
"tasks": [],
"modalities": [
"Genomics"
],
"organism": [],
"api": false
},
{
"id": "open_targets_platform",
"name": "Open Targets Platform",
@@ -2588,18 +2383,10 @@ validated: false
],
"tasks": [],
"modalities": [
"protein-sequence"
"Protein"
],
"organism": [],
"api": false,
"entities": [
"protein"
],
"documentation": "https://www.uniprot.org/",
"last_checked": "2026-08-08",
"metadata_sources": [
"https://www.uniprot.org/"
]
"api": false
},
{
"id": "uniref",
@@ -4208,7 +3995,7 @@ validated: false
"name": "MIDAS",
"type": "model",
"url": "https://github.com/labomics/midas",
"description": "Mosaic integration and differential accessibility model for single-cell multi-omics that handles arbitrary missing-modality combinations across transcriptomics, chromatin accessibility, and proteomics.",
"description": "Mosaic integration and differential accessibility model for single-cell multi-omics data that handles arbitrary missing-modality combinations across transcriptomics, chromatin accessibility, and proteomics.",
"tags": [
"foundation-models",
"multi-omics-foundation-models",
@@ -4479,24 +4266,6 @@ validated: false
"organism": [],
"api": false
},
{
"id": "nbbayeslm",
"name": "NbBayesLM",
"type": "model",
"url": "https://github.com/FairuzShadmaniShishir/NbBayesLM",
"description": "Bayesian neural network integrating protein language model embeddings and physicochemical features to predict nanobody thermostability with uncertainty estimates. [Paper](https://www.frontiersin.org/journals/bioinformatics/articles/10.3389/fbinf.2026.1832968/full)",
"tags": [
"protein-property-prediction"
],
"tasks": [
"Protein Property Prediction"
],
"modalities": [
"Protein"
],
"organism": [],
"api": false
},
{
"id": "neodti",
"name": "NeoDTI",
@@ -5675,23 +5444,9 @@ validated: false
"tasks": [
"Preprocessing"
],
"modalities": [
"dna-sequence",
"protein-sequence"
],
"modalities": [],
"organism": [],
"api": false,
"entities": [
"gene",
"protein"
],
"github": "https://github.com/biopython/biopython",
"documentation": "https://biopython.org/wiki/Documentation",
"last_checked": "2026-08-08",
"metadata_sources": [
"https://github.com/biopython/biopython",
"https://biopython.org/"
]
"api": false
},
{
"id": "casper",
@@ -5721,22 +5476,9 @@ validated: false
"tasks": [
"Preprocessing"
],
"modalities": [
"spatial-transcriptomics"
],
"modalities": [],
"organism": [],
"api": false,
"entities": [
"cell",
"tissue"
],
"github": "https://github.com/CSOgroup/cellcharter",
"documentation": "https://cellcharter.readthedocs.io/",
"last_checked": "2026-08-08",
"metadata_sources": [
"https://github.com/CSOgroup/cellcharter",
"https://cellcharter.readthedocs.io/"
]
"api": false
},
{
"id": "cellchat",
@@ -5750,20 +5492,9 @@ validated: false
"tasks": [
"Preprocessing"
],
"modalities": [
"single-cell-rna-seq"
],
"modalities": [],
"organism": [],
"api": false,
"entities": [
"cell",
"gene"
],
"github": "https://github.com/sqjin/CellChat",
"last_checked": "2026-08-08",
"metadata_sources": [
"https://github.com/sqjin/CellChat"
]
"api": false
},
{
"id": "celltypist",
@@ -5775,24 +5506,11 @@ validated: false
"preprocessing-tools"
],
"tasks": [
"cell-type-annotation"
],
"modalities": [
"single-cell-rna-seq"
"Preprocessing"
],
"modalities": [],
"organism": [],
"api": false,
"entities": [
"cell",
"gene"
],
"github": "https://github.com/Teichlab/celltypist",
"documentation": "https://celltypist.readthedocs.io/",
"last_checked": "2026-08-08",
"metadata_sources": [
"https://github.com/Teichlab/celltypist",
"https://celltypist.readthedocs.io/"
]
"api": false
},
{
"id": "chatspatial",
@@ -5854,30 +5572,16 @@ validated: false
"tasks": [
"Preprocessing"
],
"modalities": [
"chemical-structure",
"molecular-structure"
],
"modalities": [],
"organism": [],
"api": false,
"entities": [
"molecule",
"protein"
],
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@@ -6092,21 +5796,9 @@ validated: false
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@@ -6120,22 +5812,9 @@ validated: false
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@@ -6197,23 +5876,9 @@ validated: false
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@@ -6243,22 +5908,9 @@ validated: false
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@@ -6272,22 +5924,9 @@ validated: false
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