Compare commits
7
Commits
| Author | SHA1 | Date | |
|---|---|---|---|
|
|
259566ec9a | ||
|
|
124c76413c | ||
|
|
b3b67f8b51 | ||
|
|
b9cea1ed17 | ||
|
|
1ab812ba92 | ||
|
|
ff0fbd8785 | ||
|
|
268b9aaacc |
@@ -2,9 +2,9 @@
|
||||
title: "Readme"
|
||||
task: ""
|
||||
lineage_type: import
|
||||
upstream_source: https://github.com/ai-boost/awesome-ai-for-science/blob/230e8724/README.md
|
||||
upstream_sha: 230e8724
|
||||
imported_at: 2026-07-10
|
||||
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
|
||||
@@ -144,6 +144,7 @@ validated: false
|
||||
- [Chat2Plot](https://github.com/nyanp/chat2plot) - Secure text-to-visualization through standardized chart specifications
|
||||
- [AutoViz](https://github.com/AutoViML/AutoViz) - Automated data visualization with minimal code
|
||||
- [PlotlyAI](https://plotly.com/ai/) - AI-powered data visualization and dashboard creation
|
||||
- [Flint (Microsoft)](https://github.com/microsoft/flint-chart) - Visualization intermediate language that lets AI agents create expressive, polished charts from simple, human-editable specs, compiling the same input to 30+ chart types across Vega-Lite, ECharts, and Chart.js with an MCP server for agent integration (1.9K+ stars, MIT License, 2026)
|
||||
|
||||
---
|
||||
|
||||
@@ -214,6 +215,14 @@ validated: false
|
||||
- [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)
|
||||
- [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)
|
||||
- [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)
|
||||
- [MedgeClaw](https://github.com/xjtulyc/MedgeClaw) - Open-source AI research assistant for biomedicine — chat to run RNA-seq, drug discovery, clinical analysis, and more; built on OpenClaw and Claude Code with 140 K-Dense scientific skills, real-time dashboard, and RStudio/JupyterLab integration (xjtulyc, 669+ stars, 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)
|
||||
@@ -237,6 +246,7 @@ validated: false
|
||||
- [GraphGen](https://github.com/open-sciencelab/GraphGen) - Knowledge graph-guided synthetic data generation for LLM fine-tuning, achieving strong performance on scientific QA (GPQA-Diamond) and math reasoning (AIME)
|
||||
- [KoPA](https://github.com/zjukg/KoPA) - Structure-aware prefix adaptation for integrating LLMs with knowledge graphs (ACM MM 2024)
|
||||
- [Scholarly KGQA](https://arxiv.org/abs/2311.09841) - LLM-powered question answering over scholarly knowledge graphs (ArXiv paper)
|
||||
- [SciAtlas](https://github.com/zjunlp/SciAtlas) - Large-scale knowledge graph and pip-installable client for literature-grounded automated scientific research, connecting papers, authors, institutions, venues, keywords, citations, and a four-level research taxonomy across medicine, social sciences, engineering, computer science, materials science, and more (ZJU NLP, arXiv 2026, 136+ stars, MIT License)
|
||||
|
||||
### Knowledge Graph Resources
|
||||
- [Awesome-LLM-KG](https://github.com/RManLuo/Awesome-LLM-KG) - Comprehensive collection of papers on unifying LLMs and knowledge graphs
|
||||
@@ -249,11 +259,15 @@ 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
|
||||
- [AI Co-Scientist (Google DeepMind, Nature Medicine 2026)](https://deepmind.google/blog/co-scientist-a-multi-agent-ai-partner-to-accelerate-research/) - Multi-agent AI research partner that generates, reviews, ranks, and evolves research hypotheses alongside scientists, with experimental validation in biomedicine and other domains (2026)
|
||||
- [Hyra (Tencent Hunyuan, 2026)](https://hy.tencent.com/research/hyra) - Hunyuan Research Agent for autonomous open-ended discovery across AI4Science, mathematics, and engineering, releasing reproducible solution artifacts for autocorrelation constants, Erdős problems, PARP1 docking, qubit routing, and record-breaking packing problems ([Hyra-results](https://github.com/Tencent-Hunyuan/Hyra-results), 112+ stars, Apache 2.0)
|
||||
- [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)
|
||||
- [The AI Scientist v1 (2024)](https://arxiv.org/abs/2408.06292) - First fully autonomous research system: hypothesis→experiment→writing→review simulation
|
||||
- [The AI Scientist v2 (2025)](https://arxiv.org/abs/2504.08066) - Enhanced with Agentic Tree Search, reduced template dependency, first workshop-level accepted paper
|
||||
- [FAROS (OpenNSWM-Lab)](https://github.com/OpenNSWM-Lab/FAROS) - Foundation AutoResearch Operating System: blueprint-driven runtime for orchestrating AI research workflows from idea generation and experiments to paper writing and peer review (OpenNSWM-Lab, 2.4K+ stars, 2026)
|
||||
- [DeepScientist](https://github.com/ResearAI/DeepScientist) - First system progressively surpassing human SOTA on frontier AI tasks (183.7%, 1.9%, 7.9% improvements), month-long autonomous discovery with 20,000+ GPU hours
|
||||
- [ASI-Arch (GAIR-NLP, arXiv 2025)](https://github.com/GAIR-NLP/ASI-Arch) - Autonomous multi-agent research loop for model architecture discovery that ran 1,773 experiments over 20,000 GPU hours and produced 106 state-of-the-art linear-attention architectures, surpassing human-designed baselines including Mamba2 and DeltaNet (1.1K+ stars, Apache 2.0)
|
||||
- [Kosmos](https://github.com/jimmc414/Kosmos) - Extended autonomy AI scientist with 200 parallel agent rollouts, 42K lines of code execution, 1.5K papers analyzed per run, achieving 79.4% accuracy and 7 scientific discoveries (Edison Scientific)
|
||||
@@ -287,11 +301,15 @@ 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)
|
||||
- [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)
|
||||
|
||||
### 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
|
||||
- [AIRS-Bench (Meta, 2026)](https://github.com/facebookresearch/airs-bench) - Benchmark quantifying end-to-end autonomous AI research abilities of LLM agents across 20 tasks from SOTA machine learning papers spanning NLP, code, math, biochemical modelling, and time series forecasting, with normalized score metrics against human SOTA and HuggingFace dataset
|
||||
- [PaperBench (OpenAI, 2025)](https://github.com/openai/preparedness/tree/main/project/paperbench) - Benchmark evaluating AI agents' ability to replicate 20 ICML 2024 Spotlight/Oral papers from scratch, with 8,316 gradable tasks and author-co-developed rubrics
|
||||
- [PaperGuru (AutoTrustAI, 2026)](https://github.com/AutoTrustAI/PaperGuru-Benchmark) - Lifecycle-Aware Memory (LAM) primitive and benchmark for long-horizon research agents, achieving 65.95% mean reproduction on PaperBench and 94.66% on SurveyBench through Capital Chunk Memory (CCM) with versioned content, structural multi-hop relevance, and provenance-grounded composition; 10 peer-reviewed acceptances at FSE/ICML/TOSEM/AEI/ICoGB (1.3K+ stars)
|
||||
- [MLE-Bench (OpenAI, 2024)](https://github.com/openai/mle-bench) - Benchmark evaluating AI agents on 75 curated Kaggle-style ML engineering competitions with reproducible Docker-based grading harness, human baselines, and end-to-end task lifecycle, used as a primary benchmark for autonomous ML research agents (e.g., InternAgent #1 at 36.44%)
|
||||
- [ScienceBoard (ICLR 2026)](https://github.com/OS-Copilot/ScienceBoard) - Evaluating multimodal autonomous agents in realistic scientific workflows across real scientific software environments (KAlgebra, Celestia, Grass GIS, Lean 4, etc.) with VM-based evaluation infrastructure and agent trajectories
|
||||
- [BuildArena](https://github.com/AI4Science-WestlakeU/BuildArena) - First physics-aligned interactive benchmark for LLM agents in engineering construction, designing rockets/cars/bridges in physics simulator with 3D spatial geometry library
|
||||
@@ -300,6 +318,7 @@ validated: false
|
||||
- [SciBench](https://arxiv.org/abs/2307.10635) - College-level scientific problem-solving evaluation across multiple domains
|
||||
- [NewtonBench (ICLR 2026)](https://github.com/HKUST-KnowComp/NewtonBench) - First benchmark evaluating LLMs' ability to rediscover scientific laws through interactive experimentation across 324 tasks in 12 physics domains, featuring memorization-resistant metaphysical shifts of canonical laws (HKUST)
|
||||
- [ResearchClawBench (InternScience, arXiv 2026)](https://github.com/InternScience/ResearchClawBench) - Benchmark evaluating AI agents for end-to-end automated research from re-discovery to new-discovery, with 40 real-science tasks across 10 disciplines, curated datasets from published papers, and expert-curated multimodal rubrics (170+ stars, MIT License)
|
||||
- [Terminal-Bench Science (Harbor Framework, 2026)](https://github.com/harbor-framework/terminal-bench-science) - Benchmark evaluating AI agents on complex real-world scientific workflows in terminal environments across life, physical, earth, and mathematical sciences; featured on model cards for Claude Opus 4.7, GPT-5.5, and Gemini 3.1 Pro (200+ stars, Apache 2.0)
|
||||
|
||||
### Academic Review & Evaluation
|
||||
- [AgentReview](https://agentreview.github.io/) - LLM agents simulating academic peer review ecosystems
|
||||
@@ -307,11 +326,13 @@ validated: false
|
||||
|
||||
### Domain-Specific Research Agents
|
||||
- [Aletheia](https://arxiv.org/abs/2602.10177) - Google DeepMind's autonomous mathematics research agent powered by Gemini Deep Think, autonomously solving 4 open problems from 700 Erdős conjectures and generating complete research papers without human intervention (February 2026)
|
||||
- [AlphaProof Nexus (Google DeepMind, arXiv 2026)](https://github.com/google-deepmind/alphaproof-nexus-results) - LLM-driven formal proof search system that pairs large language models with Lean verification to solve open mathematics problems; autonomously resolved 9 of 353 Erdős problems and 44 of 492 OEIS conjectures, with proofs and natural-language prose released for combinatorics, optimization, graph theory, algebraic geometry, and quantum optics collaborations (282+ stars, Apache 2.0)
|
||||
- [AlphaGeometry](https://github.com/google-deepmind/alphageometry) - DeepMind's Olympiad-level geometry theorem prover combining neural language model with symbolic deduction engine, AlphaGeometry2 solves 84% of IMO geometry problems (42/50) at gold-medalist level (Nature 2024)
|
||||
- [Goedel-Prover-V2](https://github.com/Goedel-LM/Goedel-Prover-V2) - Strongest open-source automated theorem prover in Lean 4, 8B model matches DeepSeek-Prover-V2-671B at 84.6% MiniF2F, 32B model achieves 90.4% with self-correction, using scaffolded data synthesis and verifier-guided proof refinement (Princeton, 2025)
|
||||
- [DeepSeek-Prover-V2](https://github.com/deepseek-ai/DeepSeek-Prover-V2) - DeepSeek's open-source large language model for formal theorem proving in Lean 4, integrating informal and formal mathematical reasoning through recursive subgoal decomposition and reinforcement learning powered by DeepSeek-V3, with open weights and ProverBench evaluation (2025)
|
||||
- [LeanDojo](https://github.com/lean-dojo/LeanDojo) - Open-source toolkit and benchmark for learning-based theorem proving in Lean, providing programmatic Lean interaction, a 98K+ theorem dataset extracted from 217 Lean projects, and ReProver—the first retrieval-augmented LLM-based theorem prover for Lean—with reproducible training pipelines underpinning much subsequent Lean prover research (Caltech & NVIDIA, NeurIPS 2023 Outstanding Paper, Datasets & Benchmarks)
|
||||
- [Lean Copilot](https://github.com/lean-dojo/LeanCopilot) - LLMs as copilots for theorem proving in Lean 4, exposing native tactics (`suggest_tactics`, `search_proof`, `select_premises`) that embed language model inference and premise retrieval directly inside the Lean proof environment, supporting local CTranslate2/CUDA inference as well as remote model APIs for interactive and automated proof search (Caltech & NVIDIA, NeurIPS 2024, 1.2K+ stars)
|
||||
- [MathCode](https://github.com/math-ai-org/mathcode) - Terminal AI coding assistant with a built-in math formalization engine that converts plain-language math problems into Lean 4 theorems and attempts formal proofs; bundles a local Lean toolchain and WebUI for interactive mathematical reasoning (math-ai-org, 582+ stars, 2026)
|
||||
- [Get Physics Done (PSI)](https://github.com/psi-oss/get-physics-done) - First open-source agentic AI physicist turning research questions into structured workflows with rigorous verification and multi-step analytical work for long-horizon physics projects; integrates with Claude Code, Codex, Gemini CLI, and OpenCode (804+ stars, Apache 2.0, 2026)
|
||||
- [Foam-Agent (NeurIPS 2025)](https://github.com/csml-rpi/Foam-Agent) - End-to-end composable multi-agent framework for automating OpenFOAM-based CFD simulations from natural language prompts, managing meshing, case setup, execution, error correction, and post-processing; achieves 100% success rate on 110 FoamBench tasks with Claude Opus 4.6 through Architect-Input Writer-Runner-Reviewer agent collaboration with RAG-enhanced generation and MCP tool integration (RPI CSML, 242+ stars, MIT License)
|
||||
- [Zephyrus (ICLR 2026)](https://github.com/Rose-STL-Lab/Zephyrus) - First agentic framework for weather science, pairing an LLM with ZephyrusWorld (a code-execution environment exposing WeatherBench 2 data, geolocation, forecasting, simulation, and climatology tools) and ZephyrusBench (2,230 Q&A pairs across 49 weather-science tasks); outperforms text-only baselines by up to 44.2 percentage points (UC San Diego Rose-STL-Lab, 99+ stars, MIT License, 2026)
|
||||
@@ -326,6 +347,7 @@ validated: false
|
||||
- [Coscientist](https://www.nature.com/articles/s41586-023-06792-1) - Autonomous chemical experiment planning and execution
|
||||
- [SciAgents](https://github.com/lamm-mit/SciAgentsDiscovery) - Bioinspired multi-agent intelligent graph reasoning system that autonomously traverses ontological knowledge graphs to generate, critique, and refine novel research hypotheses, demonstrated on bio-inspired materials discovery with cross-disciplinary connection mining (MIT Lamm Group, 2024)
|
||||
- [TxAgent](https://github.com/mims-harvard/TxAgent) - AI agent for therapeutic reasoning across a universe of tools, achieving 92.1% accuracy in drug reasoning and outperforming GPT-4o by 25.8% (Harvard MIMS, 2025)
|
||||
- [ATHENA-R1 (Harvard MIMS)](https://github.com/mims-harvard/ATHENA) - Reinforcement-learning-trained AI agent for treatment reasoning over a universe of 212 biomedical tools, performing multi-step evidence gathering and spawning parallel reasoning branches to reach evidence-grounded clinical decisions (55+ stars, MIT License, 2026)
|
||||
- [ClawBio](https://github.com/ClawBio/ClawBio) - First bioinformatics-native AI agent skill library enabling local-first, reproducible genomic and population-genetics research workflows built on OpenClaw (871+ stars, MIT License, 2026)
|
||||
|
||||
---
|
||||
@@ -437,6 +459,7 @@ validated: false
|
||||
- [ChemCrow: Augmenting large-language models with chemistry tools](https://arxiv.org/abs/2304.05376) (2023.04) - LLM agents for chemistry research
|
||||
- [Autonomous chemical research with large language models](https://www.nature.com/articles/s41586-023-06792-0) - Automated chemical experimentation
|
||||
- [Coscientist: Autonomously planning and executing scientific experiments](https://www.nature.com/articles/s41586-023-06792-1) - Robotic lab automation
|
||||
- [The AutoResearch Moment: From Experimenter to Research Director](https://www.preprints.org/manuscript/202603.1329) (2026.03) - Position paper on claim governance for autonomous research: proposes a research-director bundle (objective sheet, discovery trace, verification ledger, provenance bundle) for evaluating agent-driven science
|
||||
|
||||
### Recent Advances & Domain Applications
|
||||
- [AlphaFold: Protein Structure Prediction](https://www.nature.com/articles/s41586-021-03819-2)
|
||||
@@ -474,6 +497,7 @@ 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)
|
||||
@@ -599,8 +623,10 @@ 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)
|
||||
@@ -640,12 +666,14 @@ validated: false
|
||||
- [micro-sam](https://github.com/computational-cell-analytics/micro-sam) - Segment Anything Model for microscopy: interactive and automatic segmentation of light, electron, and fluorescence microscopy images in 2D and 3D, with domain-specific fine-tuning workflows for scientific imaging (1.5K+ stars)
|
||||
- [MedSAM](https://github.com/bowang-lab/MedSAM) - Universal medical image segmentation foundation model trained on 1.57M image-mask pairs across 10 imaging modalities and 30+ cancer types (Nature Communications 2024)
|
||||
- [MedSAM2](https://github.com/bowang-lab/MedSAM2) - Segment Anything in 3D medical images and videos, extending SAM2 to volumetric and temporal medical imaging with state-of-the-art zero-shot segmentation performance across CT, MRI, and surgical video (arXiv 2025)
|
||||
- [Medical SAM3 (AIM Research Lab, arXiv 2026)](https://github.com/AIM-Research-Lab/Medical-SAM3) - Foundation model for universal prompt-driven medical image segmentation extending SAM3 to clinical imaging, supporting 2D public benchmarks and 3D training/evaluation with text and box prompts; pretrained weights available on HuggingFace (189+ stars)
|
||||
- [MedSegX](https://github.com/MedSegX/MedSegX-code) - Generalist foundation model and database for open-world medical image segmentation, enabling universal segmentation of diverse anatomical structures and pathologies with zero-shot generalization to unseen tasks and modalities (Nature Biomedical Engineering 2025)
|
||||
- [VoxTell (MIC-DKFZ, 2025)](https://github.com/MIC-DKFZ/VoxTell) - Free-text promptable universal 3D medical image segmentation foundation model enabling zero-shot segmentation of diverse anatomical structures and pathologies via natural language prompts across CT, MRI, and other volumetric imaging modalities (DKFZ, 195+ stars, Apache 2.0)
|
||||
- [BiomedParse](https://github.com/microsoft/BiomedParse) - Foundation model for joint segmentation, detection, and recognition of biomedical objects across nine imaging modalities, with v2 introducing BoltzFormer architecture for end-to-end 3D inference (Microsoft, Nature Methods 2025)
|
||||
- [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)
|
||||
@@ -673,6 +701,7 @@ validated: false
|
||||
- [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)
|
||||
- [CatGo (UCSD)](https://github.com/Hello-QM/catgo-LRG) - AI-driven desktop workbench for computational materials science with an interactive 3D structure editor, natural-language CatBot assistant, visual DAG workflow engine, remote-cluster access, and HPC job submission for VASP, ORCA, CP2K, Quantum ESPRESSO, GPAW, DFTB+, SIESTA, and LAMMPS (172+ stars, AGPL-3.0, 2026)
|
||||
- [NequIP](https://github.com/mir-group/nequip) - E(3)-equivariant neural network interatomic potentials achieving DFT accuracy with up to 1000× less training data than invariant models, foundational architecture behind MACE and Allegro (Harvard, MIT, Nature Communications 2022)
|
||||
- [Allegro](https://github.com/mir-group/allegro) - Highly scalable equivariant deep learning interatomic potentials enabling million-atom molecular dynamics simulations with ab initio accuracy, building on E(3)-equivariant architectures for large-scale atomistic modeling (mir-group, MIT License, 480+ stars)
|
||||
- [SchNetPack](https://github.com/atomistic-machine-learning/schnetpack) - PyTorch toolkit for deep neural networks in atomistic simulations, implementing SchNet, DimeNet++, PaiNN, and GemNet for molecular dynamics and quantum chemistry (900+ stars)
|
||||
@@ -776,8 +805,9 @@ validated: false
|
||||
|
||||
#### Social Science Research & Simulation
|
||||
- [AgentSociety](https://github.com/tsinghua-fib-lab/AgentSociety) - Modern LLM-native agent simulation platform for social science research and experimental design, providing a flexible framework for creating and managing intelligent agents in simulated environments (Tsinghua FIB Lab, 984+ stars, 2025)
|
||||
- [Awesome Agent Skills for Empirical Research](https://github.com/brycewang-stanford/Awesome-Agent-Skills-for-Empirical-Research) - Curated collection of 23,000+ agent skills for empirical research across 8 social science disciplines, enabling reproducible social science research with AI agents (Stanford REAP & CoPaper.AI, 1.1K+ stars, 2026)
|
||||
- [Auto-Empirical-Research-Skills](https://github.com/brycewang-stanford/Auto-Empirical-Research-Skills) - Curated collection of 23,000+ agent skills for empirical research across 8 social science disciplines, enabling reproducible social science research with AI agents (Stanford REAP & CoPaper.AI, 3K+ stars, 2026)
|
||||
- [EDSL](https://github.com/expectedparrot/edsl) - Design, conduct and analyze results of AI-powered surveys and experiments. Simulate social science and market research with large numbers of AI agents and LLMs (460+ stars, 2024)
|
||||
- [GABRIEL (OpenAI, 2026)](https://github.com/openai/GABRIEL) - Generalized Attribute Based Ratings Information Extraction Library; official OpenAI toolkit that turns messy qualitative corpora into analysis-ready datasets for social scientists and data scientists, measuring quantitative attributes in text, images, or audio using the GPT API. See the [official blog post](https://openai.com/index/scaling-social-science-research/) and [NBER working paper](http://www.nber.org/papers/w34834) (413+ stars, Apache 2.0)
|
||||
|
||||
---
|
||||
|
||||
@@ -790,6 +820,10 @@ validated: false
|
||||
- [TimesFM (Google Research)](https://github.com/google-research/timesfm) - Pretrained time series foundation model for long-horizon forecasting across diverse scientific domains including climate variables, biomedical signals, and physical observations; decoder-only Transformer architecture with strong zero-shot generalization (19.8K+ stars, Apache 2.0, 2024-2025)
|
||||
- [Chronos (Amazon Science, NeurIPS 2024)](https://github.com/amazon-science/chronos-forecasting) - Pretrained time series foundation model for zero-shot forecasting across diverse scientific and real-world domains; tokenizes continuous time series into discrete bins to train transformer language models on large-scale corpora, achieving strong zero-shot generalization and competitive performance with task-specific supervised models on climate, energy, and health benchmarks (5.3K+ stars, Apache 2.0, 2024-2026)
|
||||
- [TabPFN (Prior Labs, Nature 2025)](https://github.com/PriorLabs/tabpfn) - Foundation model for tabular data that predicts on unseen real-world tables in a single forward pass, achieving accurate small-data classification and regression without task-specific training; widely applicable to scientific datasets with limited samples (7.4K+ stars, 2022-2026)
|
||||
- [TabFM (Google Research, 2026)](https://github.com/google-research/tabfm) - Scikit-learn compatible tabular foundation model for zero-shot classification and regression on mixed-type tabular datasets via in-context learning; applicable to diverse scientific datasets (1.8K+ stars, Apache 2.0)
|
||||
- [DeepInnovator (HKUDS, arXiv 2026)](https://github.com/HKUDS/DeepInnovator) - Scientific foundation model and AI research copilot for idea generation, cross-disciplinary connection discovery, and hypothesis formation; trained with a decoupled reward-comment RL architecture and achieves GPT-4o-competitive novelty/rationale on STEM and social-science idea-generation benchmarks (270+ stars, MIT License, 2026)
|
||||
- [AI Can Learn Scientific Taste (OpenMOSS, arXiv 2026)](https://github.com/tongjingqi/AI-Can-Learn-Scientific-Taste) - Scientific taste learning framework showing AI can judge and propose research ideas with long-term impact; trains Scientific Judge as a generative reward model and Scientific Thinker as an ideation policy using Reinforcement Learning from Community Feedback (RLCF) on large-scale citation signals, with SciJudgeBench and released HuggingFace model weights (425+ stars, Apache 2.0, 2026)
|
||||
- [LOGOS (arXiv 2026)](https://github.com/LOGOS-Hub/LOGOS) - First multi-domain generative foundation model for the natural sciences built on a unified scientific grammar, encoding proteins, antibodies, small molecules, chemical reactions, materials, and their spatial interactions into a shared token vocabulary; enables unified generation, prediction, and design across domains under a purely autoregressive paradigm (134+ stars, Apache 2.0, 2026)
|
||||
- [MinervaAI](https://github.com/google-research/minerva) - Mathematical reasoning
|
||||
- [PaLM-2](https://ai.google/discover/palm2) - Scientific reasoning capabilities
|
||||
|
||||
@@ -860,6 +894,7 @@ validated: false
|
||||
|
||||
### Specialized Frameworks
|
||||
- [MDAnalysis](https://github.com/MDAnalysis/mdanalysis) - Molecular dynamics analysis
|
||||
- [Nano World Model](https://github.com/simchowitzlabpublic/nano-world-model) - Minimalist, batteries-included repository for training video world models with diffusion-forcing, supporting long-horizon rollouts, 3D point-cloud generation, and model-predictive control with pretrained checkpoints (Simchowitz Lab, 700+ stars, MIT License, 2026)
|
||||
- [e3nn](https://github.com/e3nn/e3nn) - Euclidean neural networks for arbitrary point transformations enabling E(3)-equivariant deep learning, foundational library for building geometry-aware neural networks in molecular dynamics, materials science, and physics
|
||||
- [MDtrajNet](https://arxiv.org/abs/2505.16301) - Neural network foundation model that directly generates MD trajectories bypassing force calculations, accelerating simulations by up to 100× with equivariant Transformer architecture (2025)
|
||||
- [ASE](https://wiki.fysik.dtu.dk/ase/) - Atomic Simulation Environment for materials modeling
|
||||
@@ -939,6 +974,7 @@ This project builds upon and complements several excellent resources:
|
||||
- [awesome-ai4s](https://github.com/hyperai/awesome-ai4s) - 200+ AI for Science papers with Chinese interpretations
|
||||
- [Awesome AI Scientist Papers](https://github.com/openags/Awesome-AI-Scientist-Papers) - Autonomous AI scientist research
|
||||
- [Awesome Scientific Machine Learning](https://github.com/MartinuzziFrancesco/awesome-scientific-machine-learning) - Physics-informed ML and SciML
|
||||
- [Awesome Scientific Skills](https://github.com/InternScience/Awesome-Scientific-Skills) - Curated collection of agent skills for scientific research (InternScience, 493+ stars, 2026)
|
||||
- [Awesome Agents for Science](https://github.com/OSU-NLP-Group/awesome-agents4science) - LLM agents across scientific domains
|
||||
- [Awesome LLM Agents Scientific Discovery](https://github.com/zhoujieli/Awesome-LLM-Agents-Scientific-Discovery) - Biomedical AI agents
|
||||
- [Awesome Foundation Models for Weather and Climate](https://github.com/shengchaochen82/Awesome-Foundation-Models-for-Weather-and-Climate) - Comprehensive survey of foundation models for weather and climate data understanding
|
||||
|
||||
Reference in New Issue
Block a user