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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.
An open source extension that connects AI agents to computational notebooks in JupyterLab.
An open-source framework for machine learning and other computations on decentralized data.
Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
Brian is a free, open source simulator for spiking neural networks.
Math & CS awesome List, distinguished by proof and logic technique
Computational framework for reinforcement learning in traffic control
OpenChem: Deep Learning toolkit for Computational Chemistry and Drug Design Research
Computational toolbox for large scale Calcium Imaging Analysis, including movie handling, motion correction, source extraction, spike deconvolution and result visualization.
Interactive network visualization in Python and Dash, powered by Cytoscape.js
Vision-Language Pathology Foundation Model - Nature Medicine
Tools for computational pathology
Python-centric Cookiecutter for Molecular Computational Chemistry Packages
A py.test plugin to validate Jupyter notebooks
Parsers and algorithms for computational chemistry logfiles
Descriptor computation(chemistry) and (optional) storage for machine learning
City Energy Analyst (CEA) is an open-source urban building energy modeling (UBEM) platform and computation tool for the design of low-carbon and highly efficient cities.
High performance computational platform in Python for the spectral Galerkin method
Statistical NLG for spoken dialogue systems
Inner ear models for Python
NeoDTI: Neural integration of neighbor information from a heterogeneous network for discovering new drug-target interactions
MCP server for spatial transcriptomics analysis through natural language interfaces.
Multi-stage Riemannian flow matching for physically valid molecular docking, with GNINA scoring, PoseBusters filtering, CLI inference, and benchmarks.
Course materials for Zurich Initiative for Computational Economics (ZICE) 2014