47,133 repositories indexed
1–24 of 37 · Most stars
Turn any AI agent into an AI Scientist. The #1 Agent Skills library for science, used by 250,000+ scientists worldwide. 177 ready-to-use validated skills plus 100+ scientific databases covering biology, chemistry, medicine, and drug discovery. Compatible with Cursor, Claude Code, Codex, Pi, Antigravity, and the open Agent Skills standard.
Qlib is an AI-oriented Quant investment platform that aims to use AI tech to empower Quant Research, from exploring ideas to implementing productions. Qlib supports diverse ML modeling paradigms, including supervised learning, market dynamics modeling, and RL, and is now equipped with https://github.com/microsoft/RD-Agent to automate R&D process.
Ray is an AI compute engine. Ray consists of a core distributed runtime and a set of AI Libraries for accelerating ML workloads.
Making large AI models cheaper, faster and more accessible
Research and development (R&D) is crucial for the enhancement of industrial productivity, especially in the AI era, where the core aspects of R&D are mainly focused on data and models. We are committed to automating these high-value generic R&D processes through R&D-Agent, which lets AI drive data-driven AI. 🔗https://aka.ms/RD-Agent-Tech-Report
Statsmodels: statistical modeling and econometrics in Python
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
A flexible package manager that supports multiple versions, configurations, platforms, and compilers.
Lightning ⚡️ fast forecasting with statistical and econometric models.
Eclipse SUMO is an open source, highly portable, microscopic and continuous traffic simulation package designed to handle large networks. It allows for intermodal simulation including pedestrians and comes with a large set of tools for scenario creation.
Mesa is an open-source Python library for agent-based modeling, ideal for simulating complex systems and exploring emergent behaviors.
Python Toolkit for Causal and Probabilistic Reasoning
Open-source, end-to-end platform for evaluating, observing, and improving LLM and AI agent applications. Tracing · Evals · Simulations · Datasets · Gateway · Guardrails. Self-hostable. Apache 2.0.
A full spaCy pipeline and models for scientific/biomedical documents.
Cartopy - a cartographic python library with matplotlib support
Fake Protocol Server
Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
A research toolkit for particle swarm optimization in Python
[CONTRIBUTORS WELCOME] Generalized Additive Models in Python
Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models
FiPy is a Finite Volume PDE solver written in Python
Universal SKILL.md catalog for research workflows: literature review, research design, project memory, manuscript writing, and cross-agent delegation for Claude Code, Codex, Gemini, Cursor, OpenClaw, and generic AI clients.
Tools for computational pathology
Python-centric Cookiecutter for Molecular Computational Chemistry Packages