[upstream-sync] README.md from ai-boost/awesome-ai-for-science@e4241f89 [catalogue]

Reviewed-on: #41

upstream/ai-boost-awesome-ai-for-science/catalogue/README.md

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 title: "Readme"
 task: ""
 lineage_type: import
-upstream_source: https://github.com/ai-boost/awesome-ai-for-science/blob/4afd72ec/README.md
-upstream_sha: 4afd72ec
-imported_at: 2026-07-07
+upstream_source: https://github.com/ai-boost/awesome-ai-for-science/blob/e4241f89/README.md
+upstream_sha: e4241f89
+imported_at: 2026-07-14
 prompt_class: catalogue
 upstream_changes: accepted
 author: upstream
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 - [ScholarAIO](https://github.com/ZimoLiao/scholaraio) - Agent-agnostic research infrastructure providing AI agents with a structured scientific workspace for deep PDF parsing, hybrid semantic/keyword literature search, citation-graph analysis, topic discovery, and academic writing workflows; natively integrates with Claude Code, Codex, Cursor, Cline, and AgentSkills.io (530+ stars, MIT License, 2026)
 - [BioMCP](https://github.com/genomoncology/biomcp) - Biomedical Model Context Protocol (MCP) server unifying literature search across PubMed/Europe PMC, entity pivoting across genes/variants/drugs/diseases/pathways/proteins, local study analytics, and Claude Code/Codex integration for agentic biomedical research (531+ stars, MIT License, 2025-2026)
 - [MATLAB Agentic Toolkit](https://github.com/matlab/matlab-agentic-toolkit) - Official MathWorks toolkit connecting AI agents to MATLAB via the MATLAB MCP Server and curated skills, enabling trusted engineering and scientific computing workflows with idiomatic code generation, testing, and error diagnosis in Claude Code, GitHub Copilot, OpenAI Codex, and Gemini CLI (686+ stars, BSD-3-Clause, 2026)
+- [BioNeMo Agent Toolkit (NVIDIA)](https://github.com/NVIDIA-BioNeMo/bionemo-agent-toolkit) - Turn any AI agent into a life science expert with NVIDIA BioNeMo skills, enabling agentic workflows for drug discovery, protein engineering, and biomolecular design (329+ stars, Apache 2.0 / CC-BY-4.0, 2026)
 - [open-science](https://github.com/ai4s-research/open-science) - Local-first, open-source AI workbench for scientists — an open alternative to Claude Science (by ai4s-research, maintainers of this list; TypeScript, MIT, 2026)
+- [OpenScience (Synthetic Sciences)](https://github.com/synthetic-sciences/openscience) - Open-source AI workbench for scientific research that automates the full research loop — literature review, hypothesis generation, code writing, experiment execution, database querying, and report writing — with 290+ skills, specialized research agents, and a browser-based workspace (1453+ stars, Apache 2.0, 2026)
+- [Claude Scholar](https://github.com/Galaxy-Dawn/claude-scholar) - Semi-automated research assistant for academic research and software development, supporting Claude Code, Codex CLI, Kimi Code CLI, and OpenCode across ideation, coding, experiments, writing, and publication (Galaxy-Dawn, 4.5K+ stars, MIT License, 2026)
+- [K-Dense BYOK](https://github.com/K-Dense-AI/k-dense-byok) - Free, open-source desktop AI research assistant that runs locally and turns natural-language requests into real data analysis, literature search, figure generation, and manuscript review; ships with 149 scientific skills, 326 workflow templates, and 229 databases across genomics, proteomics, drug discovery, and materials science, plus a living lab notebook, 60+ scientific file previews, and LaTeX editing (K-Dense-AI, 908+ stars, MIT License, 2026)
 
 ### Literature Management Plugins
 - [llm-for-zotero](https://github.com/yilewang/llm-for-zotero) - Research agent system deeply integrated with Zotero supporting Agent Mode, skills, multi-model backends (OpenAI-compatible, Claude Code, WebChat, Codex), and MinerU PDF parsing for literature Q&A, summarization, figure inspection, and source comparison (1.3K+ stars, 2026)
@@ -246,6 +250,7 @@ validated: false
 - [FunSearch (DeepMind, Nature 2023)](https://github.com/google-deepmind/funsearch) - First system to make novel, verifiable scientific discoveries by pairing LLMs with evolutionary search, solving open problems in combinatorics (cap set problem) and discovering faster matrix multiplication algorithms
 - [OpenEvolve](https://github.com/algorithmicsuperintelligence/openevolve) - Open-source implementation of AlphaEvolve's evolutionary coding agent paradigm, enabling LLMs to autonomously discover and optimize algorithms through iterative evolution, matching the approach behind DeepMind's breakthrough matrix multiplication discovery (6.2K+ stars, 2025)
 - [SkyDiscover](https://github.com/skydiscover-ai/skydiscover) - Modular framework for AI-driven scientific and algorithmic discovery, providing a unified interface for implementing, running, and fairly comparing discovery algorithms across 200+ optimization tasks; introduces AdaEvolve and EvoX adaptive/evolutionary algorithms and natively supports OpenEvolve, GEPA, and Harbor-format benchmarks (skydiscover-ai, 568+ stars, Apache 2.0, 2026)
+- [EvoMaster (SJTU SAI, arXiv 2026)](https://github.com/sjtu-sai-agents/EvoMaster) - Foundational auto-research agent framework for agentic science at scale, providing modular agent construction, run-level self-evolution, and multiple SciMaster domain agents (ML-Master, X-Master, Browse-Master); outperforms general-purpose agents across authoritative benchmarks including the OpenAI Frontier Science Benchmark (206+ stars, Apache 2.0, 2026)
 - [Virtual Lab (Stanford Zou Group, Nature 2025)](https://github.com/zou-group/virtual-lab) - AI-human collaborative research platform where a human researcher works with a team of LLM agents via team and individual meetings to perform scientific research; demonstrated by designing new SARS-CoV-2 nanobodies with wet-lab validation
 - [The AI Scientist (SakanaAI)](https://github.com/SakanaAI/AI-Scientist) - First fully autonomous open-ended scientific discovery system with official implementation: hypothesis→experiment→writing→review simulation (13.8K+ stars, 2024)
 - [The AI Scientist v2 (SakanaAI)](https://github.com/SakanaAI/AI-Scientist-v2) - Official implementation of the second-generation fully autonomous scientific discovery system, extending the original with agentic tree search and reduced template dependency to achieve workshop-level accepted papers (6.7K+ stars, 2025)
@@ -284,6 +289,7 @@ validated: false
 - [Science-Star (USTC AI4Science, 2025)](https://github.com/ustc-ai4science/Science-Star) - Open-source platform for building, extending, and experimenting with scientific agents, providing modular agent construction tools and standardized evaluation pipelines for accelerating autonomous scientific discovery research (748+ stars, MIT License)
 - [SR-Scientist (ICLR 2026)](https://github.com/GAIR-NLP/SR-Scientist) - Scientific equation discovery with agentic AI, elevating LLMs from equation proposers to autonomous scientists that write code, analyze data, implement equations, and optimize based on experimental feedback; outperforms baselines by 6-35% across four science disciplines with robustness to noise and out-of-domain generalization (GAIR-NLP / SJTU, 49+ stars, Apache 2.0)
 - [ARA (Agent-Native Research Artifact)](https://github.com/ARA-Labs/Agent-Native-Research-Artifact) - Research ecosystem for rigorous and trustworthy AI scientists — a protocol and skill bundle that makes autonomous research verifiable, crystallized, and observable through structured, machine-executable research artifacts and five agent skills for research management, compilation, verification, visualization, and publication (ARA-Labs, 447+ stars, MIT License, 2026)
+- [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)
 
 ### 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
@@ -471,6 +477,7 @@ validated: false
 - [ModelAngelo](https://github.com/3dem/model-angelo) - Automatic atomic model building program for cryo-EM maps using deep learning, enabling rapid de novo protein structure determination from electron density with high accuracy (3DEM/EMBL, 169+ stars)
 - [AlphaFold](https://github.com/google-deepmind/alphafold) - Protein structure prediction
 - [AlphaFold3](https://github.com/google-deepmind/alphafold3) - AlphaFold 3 inference pipeline for unified biomolecular structure prediction of proteins, nucleic acids, small molecules, ions, and post-translational modifications (Google DeepMind, Nature 2024)
+- [AlphaFold Server](https://alphafoldserver.com/) - Free, easy-to-use web platform by Google DeepMind and Isomorphic Labs for running AlphaFold 3 predictions of biomolecular structures and interactions, enabling researchers without local infrastructure to model proteins, nucleic acids, small molecules, ions, and post-translational modifications through a searchable proteome interface (2024)
 - [AlphaProteo](https://github.com/google-deepmind/alphaproteo) - Deep learning system for de novo design of high-affinity protein binders, achieving strong binding across diverse target classes including challenging intracellular proteins with significantly higher success rates than traditional wet-lab screening methods (Google DeepMind, Nature 2024)
 - [AlphaPulldown](https://github.com/KosinskiLab/AlphaPulldown) - Automated pipeline for proteome-scale protein-protein interaction screening with AlphaFold-Multimer and AlphaFold 3, supporting flexible inputs (UniProt IDs, FASTA, residue regions, multimers, AF3 JSON features) and integrated downstream analysis for hit prioritization (Kosinski Lab, EMBL, Nature Protocols 2024, 317+ stars, GPL-3.0)
 - [RareFold](https://github.com/PatrickBryant1/RareFold) - Structure prediction and design of proteins with noncanonical amino acids, enabling AI-powered modeling of synthetic biology constructs and expanded genetic code systems (133+ stars, 2025)
@@ -490,6 +497,7 @@ validated: false
 - [Proteina-Complexa](https://github.com/NVIDIA-Digital-Bio/Proteina-Complexa) - Flow-based generative model for atomistic protein binder design with test-time optimization, SOTA on binder benchmarks (ICLR 2026 Oral, NVIDIA)
 - [PXDesign (ByteDance, 2025)](https://github.com/bytedance/PXDesign) - Fast, modular, and accurate de novo design of protein binders based on the Protenix foundation model, achieving 17-82% nanomolar hit rates across diverse targets with 2-6× improvement over prior methods like AlphaProteo and RFdiffusion (229+ stars, Apache 2.0)
 - [ODesign (OTeam-AI4S, 2025)](https://github.com/OTeam-AI4S/ODesign) - All-atom generative world model for all-to-all biomolecular interaction design, enabling cross-modality generation of proteins, nucleic acids, small molecules, and cyclic peptides with fine-grained epitope-level control and 2-4 orders of magnitude faster design throughput than modality-specific baselines (316+ stars, Apache 2.0)
+- [OpenDDE (Aureka Research, 2026)](https://github.com/aurekaresearch/OpenDDE) - Open-source, all-atom biomolecular foundation model that turns co-folding into a scalable engine for structure prediction, design, and optimization across proteins, nucleic acids, and small molecules in drug discovery; ranked first on PXMeter-AB, FoldBench-AB, and 2026ARK-AB antibody-antigen benchmarks (263+ stars, Apache 2.0)
 - [La-Proteina (NVIDIA)](https://github.com/NVIDIA-Digital-Bio/la-proteina) - Partially latent flow matching model for the joint generation of a protein's amino acid sequence and full atomistic structure, including both backbone and side chains (2025)
 - [Proteina (NVIDIA, ICLR 2025 Oral)](https://github.com/NVIDIA-Digital-Bio/proteina) - Large-scale flow-based protein backbone generator utilizing hierarchical fold class labels for conditioning with a tailored scalable transformer architecture, enabling controllable de novo protein design (264+ stars)
 - [xfold](https://github.com/Shenggan/xfold) - Democratizing AlphaFold3: PyTorch reimplementation to accelerate protein structure prediction research
@@ -515,6 +523,7 @@ validated: false
 - [Chroma](https://github.com/generatebio/chroma) - Generative model for programmable protein design using diffusion modeling, equivariant graph neural networks, and conditional random fields to efficiently sample diverse all-atom structures; supports conditional generation via composable conditioners for substructure, symmetry, shape, and neural-network predictions; validated crystallographically (Generate Biomedicines, Nature 2023)
 - [EvoDiff](https://github.com/microsoft/evodiff) - Discrete diffusion framework for generative protein sequence design over evolutionary-scale databases, supporting unconditional generation, evolutionary-guided conditional design, motif scaffolding, and intrinsically disordered region generation through order-agnostic autoregressive diffusion, enabling sequence-only protein design without structural priors (Microsoft Research, Nature Communications 2024)
 - [DISCO](https://github.com/DISCO-design/DISCO) - General multimodal protein design framework enabling DNA-encoding of chemistry for programmable enzyme design and diverse protein generation through diffusion-based generative modeling (190+ stars, Apache 2.0, 2026)
+- [SwitchCraft](https://github.com/bjing2016/switchcraft) - Programmatic framework for designing state-switching proteins via backpropagation through compositional design constraints parameterized by structure prediction models; enables de novo design of allosteric regulators and fluorescent biosensors for arbitrary small-molecule analytes (79+ stars, MIT License, ICML 2026)
 - [RFdiffusion3](https://github.com/RosettaCommons/RFdiffusion) - Latest RFdiffusion for protein structure design with 10× speedup and atom-level precision (December 2025)
 - [RFantibody](https://github.com/RosettaCommons/RFantibody) - Structure-based de novo antibody design pipeline built on RFdiffusion for computational generation of target-specific antibodies (RosettaCommons, 2025)
 - [IgGM](https://github.com/TencentAI4S/IgGM) - Generative foundation model for functional antibody and nanobody design, supporting de novo generation, affinity maturation, inverse design, structure prediction, and humanization (Tencent AI4S, ICLR 2025)
@@ -530,6 +539,7 @@ validated: false
 - [DeepMol](https://github.com/BioSystemsUM/DeepMol) - Unified ML/DL framework for drug discovery workflows, integrating RDKit, DeepChem, and scikit-learn with SHAP explainability
 - [Chemprop](https://github.com/chemprop/chemprop) - Message passing neural networks for molecule property prediction, ADMET modeling, and reaction prediction, achieving SOTA on MoleculeNet and widely used in pharmaceutical drug discovery (MIT, 2.3K+ stars)
 - [RDKit](https://github.com/rdkit/rdkit) - Cheminformatics toolkit
+- [nvMolKit (NVIDIA BioNeMo, 2025)](https://github.com/NVIDIA-BioNeMo/nvMolKit) - High-performance, GPU-accelerated library for key computational chemistry tasks including molecular similarity, conformer generation, and geometry relaxation, designed to accelerate drug-discovery and molecular-modeling workflows (264+ stars, Apache 2.0)
 - [Open Targets](https://www.opentargets.org/) - Open-source data integration platform for systematic drug target identification and prioritization, combining genetics, genomics, chemistry, and pharmacology data from EMBL-EBI, Wellcome Sanger Institute, and pharmaceutical partners to accelerate therapeutic discovery
 - [ESM3](https://github.com/evolutionaryscale/esm) - 98B-parameter frontier generative model jointly reasoning over protein sequence, structure, and function, trained on 2.78 billion proteins; generated a novel fluorescent protein (esmGFP) with only 58% sequence identity to known GFPs (EvolutionaryScale, 2024)
 - [ProtTrans](https://github.com/agemagician/ProtTrans) - State-of-the-art pretrained language models for proteins trained on thousands of GPUs and Google TPUs using Transformer architectures, enabling protein property prediction, feature extraction, and transfer learning across diverse downstream tasks (1.3K+ stars, MIT, 2020-2026)
@@ -593,8 +603,10 @@ validated: false
 - [AlphaGenome](https://github.com/google-deepmind/alphagenome) - Google DeepMind's unified DNA sequence foundation model predicting molecular consequences of genetic variants from single-base resolution up to 1 megabase context, jointly outputting thousands of regulatory tracks (RNA expression, splicing, chromatin accessibility, TF binding, contact maps) for human and mouse genomes via a Python client and non-commercial API (2025)
 - [GPN-Star (Song Lab, UC Berkeley, bioRxiv 2025)](https://github.com/songlab-cal/gpn) - Phylogeny-aware genomic language model trained on whole-genome alignments across multiple evolutionary timescales, predicting functional constraints and variant effects for human, mouse, chicken, fly, worm, and Arabidopsis genomes (344+ stars, MIT License)
 - [GENERanno (bioRxiv 2025)](https://github.com/GenerTeam/GENERanno) - Genomic foundation model for metagenomic and genome annotation, featuring an 8k base-pair context and 500M parameters trained on 386B base pairs of eukaryotic DNA; provides expert models and a unified CLI for prokaryotic/eukaryotic coding-sequence annotation with strong performance on Genomic Benchmarks, Nucleotide Transformer tasks, and custom Gener tasks (GenerTeam, 314+ stars, MIT License)
+- [GENERator (bioRxiv 2026)](https://github.com/GenerTeam/GENERator) - Long-context generative genomic foundation model using 6-mer tokenization for DNA sequence modeling and generation, with v2 model families for prokaryote and eukaryote genomes and pretrained weights available on HuggingFace (GenerTeam, 460+ stars, MIT License, 2025-2026)
 - [DeepVariant](https://github.com/google/deepvariant) - Google DeepMind's deep learning analysis pipeline for calling genetic variants (SNPs and indels) from next-generation DNA sequencing data, achieving human expert-level accuracy and widely adopted in clinical genomics, population genetics, and precision medicine; pre-trained models available for multiple sequencing platforms and organismal genomes (Nature Biotechnology 2018, 3.7K+ stars)
 - [Casanovo](https://github.com/Noble-Lab/casanovo) - Transformer encoder-decoder for de novo peptide sequencing from tandem mass spectrometry, translating MS/MS spectra directly to peptide sequences without reference databases, enabling identification of novel peptides for immunopeptidomics, antibody repertoires, and metaproteomes (Noble Lab UW, Nature Communications 2024)
+- [Dorado](https://github.com/nanoporetech/dorado) - Oxford Nanopore's official deep-learning basecaller for nanopore sequencing, converting raw electrical signals into DNA/RNA sequences with integrated modified-base (methylation) detection and efficient CPU/GPU inference; foundational tool for long-read genomics, epigenetics, and real-time sequencing analysis (nanoporetech, 846+ stars, actively maintained)
 
 #### Neuroscience & Behavioral Analysis
 - [DeepLabCut](https://github.com/DeepLabCut/DeepLabCut) - Markerless pose estimation of user-defined features with deep learning for all animals including humans, enabling quantitative behavioral analysis in neuroscience and ethology (Nature Neuroscience 2018, 5.6K+ stars)
@@ -640,6 +652,7 @@ validated: false
 - [UniBiomed (Nature Communications 2026)](https://github.com/Luffy03/UniBiomed) - Universal foundation model for grounded biomedical image interpretation, enabling comprehensive visual understanding, reasoning, and grounding across diverse biomedical imaging modalities with strong zero-shot generalization (55+ stars, Apache 2.0, 2025-2026)
 - [MIRA (NeurIPS 2025)](https://github.com/microsoft/MIRA) - Medical time series foundation model pretrained on 454B time points from heterogeneous clinical corpora spanning ICU physiological signals and hospital EHR, with continuous-time rotary positional encoding, frequency-specialized Mixture-of-Experts, and neural ODE extrapolation for zero-shot forecasting across irregular and multimodal temporal health data (Microsoft, 399+ stars, MIT License)
 - [HealthGPT (ICML 2025 Spotlight)](https://github.com/ZJU4HealthCare/HealthGPT) - Medical large vision-language model unifying comprehension and generation via heterogeneous knowledge adaptation, enabling holistic medical image understanding, visual question answering, and clinical report generation across diverse modalities (ZJU4HealthCare, 1.6K+ stars)
+- [Merlin (Stanford MIMI, Nature 2026)](https://github.com/StanfordMIMI/Merlin) - 3D vision-language model for computed tomography that leverages both structured electronic health records (EHR) and unstructured radiology reports for pretraining, enabling multimodal medical understanding and radiology report generation (447+ stars, MIT License, 2026)
 - [MedAgents](https://github.com/gersteinlab/MedAgents) - Multi-disciplinary collaboration framework for zero-shot medical reasoning using role-playing LLM agents (ACL 2024)
 - [MedAgentGym](https://github.com/wshi83/MedAgentGym) - Scalable agentic training environment for code-centric reasoning in biomedical data science
 - [MedRAX (ICML 2025)](https://github.com/bowang-lab/MedRAX) - First versatile medical reasoning agent for chest X-ray interpretation, dynamically integrating state-of-the-art CXR analysis tools and multimodal LLMs into a unified framework; introduces ChestAgentBench with 2,500 complex medical queries across 7 categories (bowang-lab, 1.1K+ stars)