Stars
A batteries-included toolkit for the GPU-accelerated OpenMM molecular simulation engine.
Python-centric Cookiecutter for Molecular Computational Chemistry Packages
ScholArxiv is an open-source, aesthetic, minimal and AI powered app that allows users to search, read, bookmark, share, download and view summaries of academic papers from the arXiv repository.
Half-synthetic cryoEM micrograph generator that projects pdbs>mrcs onto existing buffer cryoEM micrographs
Toolbox for molecular animations in Blender, powered by Geometry Nodes.
Applies Topaz 2D training and prediction to tomogram slices to predict 3D particle coordinates
Implementation of Alphafold 3 from Google Deepmind in Pytorch
The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation available at http://open-forcefield-toolkit.readthedocs.io
End-To-End Molecular Dynamics (MD) Engine using PyTorch
An open library for the analysis of molecular dynamics trajectories
SchNetPack - Deep Neural Networks for Atomistic Systems
MDAnalysis is a Python library to analyze molecular dynamics simulations.
A deep learning package for many-body potential energy representation and molecular dynamics
OpenMM is a toolkit for molecular simulation using high performance GPU code.
Public development project of the LAMMPS MD software package
Find your impactful open source contribution to climate technology and sustainability.
A generative model for programmable protein design
Home of StarCoder: fine-tuning & inference!
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.
Listing of papers about machine learning for proteins.
List of papers about Proteins Design using Deep Learning
DeepCell Kiosk Distribution for Kubernetes on GKE and AWS
choderalab / sake
Forked from yuanqing-wang/sakeSpatial Attention Kinetic Networks with E(n)-Equivariance
A primer on software development best practices for computational chemistry
Extensible Surrogate Potential of Ab initio Learned and Optimized by Message-passing Algorithm 🍹https://arxiv.org/abs/2010.01196
Official Repository for the Uni-Mol Series Methods
An open-source platform for developing protein models beyond AlphaFold.