Stars
Devon: An open-source pair programmer
Open-sourced dialogue foundation model for Chemistry and molecule science
MultimodalC4 is a multimodal extension of c4 that interleaves millions of images with text.
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.
vSphere Automated Lab Deployment for vSphere 6.x (6.0, 6.5 & 6.7)
A curated list of Cheminformatics libraries and software.
A Javascript cheminformatics toolkit.
Ideas for chemical similarity searches in MongoDB.
MatDeepLearn, package for graph neural networks in materials chemistry
Graph Neural Network Library for PyTorch
QUICK: A GPU-enabled ab intio quantum chemistry software package
ML4Chem: Machine Learning for Chemistry and Materials
The purpose of Rockhounding Chemistry is to assembly and maintain an industrial area in which several machines handle various types of ingredients (solid, fluid and gaseous) to produce advanced mat…
Robust representation of semantically constrained graphs, in particular for molecules in chemistry
Descriptor computation(chemistry) and (optional) storage for machine learning
A C++ library for efficient tensor network calculations
Open Babel is a chemical toolbox designed to speak the many languages of chemical data.
SchNetPack - Deep Neural Networks for Atomistic Systems
Literature of deep learning for graphs in Chemistry and Biology
Periodic table, physical constants, and molecule parsing for quantum chemistry.
Quantum chemistry program executor and IO standardizer (QCSchema).
A primer on software development best practices for computational chemistry
Google's Next Gen Pose Estimation in PyTorch