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.

🚀🚀🚀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.

A collection of resources and papers on AI Scientist / Robot Scientist

[ICLR 2026] Unleashing Scientific Reasoning for Bio-experimental Protocol Generation via Structured Component-based Reward Mechanism

ScienceOL Studio for Researchers with AI-native Calculation and Laboratory Management

This repository lists some awesome public projects about AI4Science.

AI for Materials Science Training and Development

Structure-private verification framework for molecular toxicity repair tasks based on Groth16 zero-knowledge proofs. IFAC BIKA 2025 Best Paper.

Discover AI tools, MCP servers, and agent skills for scientific research across literature, data, writing, and lab work

AI4S power-market forecasting and energy-storage strategy pipeline with LightGBM, NWP diagnostics, and submission validation.

Open-source Sci-Evo dataset release for AGI4S: protein/enzyme engineering trajectories, code, source papers, and MinerU artifacts.

NeuroTwin: A surrogate-driven AI4S workflow for brain network simulation, bridging macroscopic phenotypes with a Design-Simulate-Validate-Learn (DSVL) scientific loop.

⛽ AI加油站 — Three-mode AI+Research assistant Hermes Agent skill: daily paper push, custom AI solution for your research, passive 'use AI here' reminders. From 「找函数」to Self-Improving.

AI4C-ML is a machine learning intergration for catalyst discovery, enabling atom generation, data-driven prediction of catalytic performance through descriptor engineering, model optimization, and scalable screening workflows.