Stars
Simulated Marketplace - LLM-Powered Freelance Market Simulation
FAIR Chemistry's library of machine learning methods for chemistry
LLM agents built for control. Designed for real-world use. Deployed in minutes.
Fair-code workflow automation platform with native AI capabilities. Combine visual building with custom code, self-host or cloud, 400+ integrations.
The ultimate Python library in building OAuth, OpenID Connect clients and servers. JWS, JWE, JWK, JWA, JWT included.
A collection of small scripts that are useful for Enerzyme
An open-source AI agent that brings the power of Gemini directly into your terminal.
Jupyter Notebooks-as-a-Service platform designed for Interactive Deep Learning Training (IDLT) workloads.
Next generation machine learning force field on enzymatic catalysis
SeQuant: Symbolic Algebra of Tensors over Operators and Scalars
A Python module to simplify the rendering of cube files
Materials for OpenFF's talk at the 2025 North American RDKit UGM
A Graph Neural Network for molecular property prediction with four levels of Interpretability.
Data generation and submission scripts for the QCArchive ecosystem.
Testing GenAI Applications Workshop
Hierarchical Generation of Molecular Graphs using Structural Motifs
Read chromatography and mass spectrometry binary files.
Materials for the virtual 2024 MDAnalysis IMD streaming workshop.
Implement a ChatGPT-like LLM in PyTorch from scratch, step by step
ai_in_chemistry_workshop
A simple cube file viewer based on pythreejs
Automatically turn your SQLalchemy Data Models into a Nice SVG Diagram
Module containing scripts to perform multiple comparison simultaneously and getting the exact same value as the average pairwise comparisons of molecules represented by binary fingerprints or real …
cabb99 / Frustratometer
Forked from HanaJaafari/FrustratometerImplementations of the AWSEM and DCA frustratometers in python.
Tutorials to learn how to work with the RDKit
Molecular and crystal electromagnetic properties
A series of jupyter notebooks to help chemistry students learn python for analytical chemistry