A curated list of awesome AI tools, libraries, papers, datasets, and frameworks that accelerate scientific discovery — from physics and chemistry to biology, materials, and beyond.
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Sep 18, 2026
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ai4s
Here are 40 public repositories matching this topic...
Open Science Desktop — local-first, model-agnostic AI research workbench for macOS, Windows & Linux. Open-source Claude Science desktop alternative built on Tauri + MCP + agent skills.
desktop-app windows macos linux reproducible-research mcp open-science scientific-research tauri local-first ai-agent research-tools ai-for-science ai-scientist ai4s research-workbench claude-science claude-science-alternative open-science-desktop claude-science-desktop-alternative
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Sep 18, 2026 - TypeScript
🚀🚀🚀A collection of some awesome public projects about Large Language Model(LLM), Vision Language Model(VLM), Vision Language Action(VLA), AI Generated Content(AIGC), the related Datasets and Applications.
reinforcement-learning cuda yolo triton awesome-list llama gpt datasets vla r1 vlm ai4science aigc llm langchain mllm qwen deepseek ai4s qwen3
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Aug 1, 2025
Astronomy LLMs, StarWhisper Telescope, Virtual Sitian, and astronomy research skills
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Aug 19, 2026 - Python
Open-source agent skills for AI for Science: topic exploration, literature survey, experiments, paper writing, and integrity audit — driven by any coding agent.
reproducible-research opencode open-science paper-writing scientific-research literature-review ai-agent research-tools ai-for-science ai-scientist ai4s agent-skills claude-code claude-skills
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Jul 28, 2026 - Python
A collection of resources and papers on AI Scientist / Robot Scientist
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Sep 15, 2026
AI4S 科研 Agent 技能 | AI-for-Science research workflow skill for coding agents: literature review · experiment design · figures · paper reading — files out, cross-verified, zero deps | 文献调研/实验方案/作图/精读，交付文件+交叉验证，零依赖，MIT
ai-agents scientific-research literature-review paper-reading research-assistant academic-research llm prompt-engineering ai-for-science ai4s agent-skills claude-code claude-skills research-workflow dsh-plugin
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Aug 22, 2026 - Python
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Mar 20, 2026 - Python
🦀🧪 chitin: a modern, agent-native computational chemistry and bioinformatics integrated development suite
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Sep 18, 2026 - Rust
About Code for UniGenX: Unified Generation of Sequence and Structure with Autoregressive Diffusion https://arxiv.org/abs/2503.06687
material molecule protein unified multi-modal autoregressive diffusion-models conditional-generation large-language-models ai4s
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Jul 7, 2026 - Python
AI for Materials Science Training and Development
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Oct 11, 2025 - Jupyter Notebook
Structure-private verification framework for molecular toxicity repair tasks based on Groth16 zero-knowledge proofs. IFAC BIKA 2025 Best Paper.
snarkjs circom zero-knowledge-proof groth16 zk-snark ai-for-science ai4s verifiable-evaluation structural-privacy molecular-toxicity
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May 26, 2026 - JavaScript
用于 AI4S/GPU 实验的环境、benchmark、源码哈希与决策证据校验工具。
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Aug 31, 2026 - Python
面向 AI4S 科学算子的可复现 Jacobi/PDE 优化与 Agent 假设验证闭环。
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Aug 31, 2026 - Python
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