Stars
ORB forcefield models from Orbital Materials
High accuracy RAG for answering questions from scientific documents with citations
A Python package that makes it easy for developers to create AI apps powered by various AI providers.
Official repository for the Boltz biomolecular interaction models
📄 A curated list of awesome .cursorrules files
lwreg is a lightweight registration system for chemical registration and data storage.
A single model for all your molecular design tasks
Simple, lightweight package for genetic algorithms on molecules
SQL databases in Python, designed for simplicity, compatibility, and robustness.
molfeat - the hub for all your molecular featurizers
AutoGPT is the vision of accessible AI for everyone, to use and to build on. Our mission is to provide the tools, so that you can focus on what matters.
Explainer for black box models that predict molecule properties
Home of the PaRoutes framework for benchmarking multi-step retrosynthesis predictions.
A curated list of resources for machine learning for small-molecule drug discovery