[upstream-sync] README.md from ai-boost/awesome-ai-for-science@75240ce3 [catalogue]

2026-07-24 22:57:24 +00:00
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 title: "Readme"
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+imported_at: 2026-07-24
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 - [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)

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 - [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
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 - [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
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 - [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)

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 - [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)
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 - [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)
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 #### 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)

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