Stars
An Open Source Machine Learning Framework for Everyone
Source, test set, and document for Molecular Dynamics software, GENESIS.
OpenMM is a toolkit for molecular simulation using high performance GPU code.
Spec-driven development (SDD) for your team's workflow. Kiro style commands that enforce structured requirements→design→tasks workflow and steering, transforming how you build with AI. Support Clau…
AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.
SchNetPack - Deep Neural Networks for Atomistic Systems
Examples of WebRTC applications that are large, or use 3rd party libraries
An Open-Source Molecular Builder and Free Energy Preparation Workflow
A trainable PyTorch reproduction of AlphaFold 3.
A machine learned Molecular Mechanics force field with integration into GROMACS and OpenMM
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
A Python implementation of the DICOM networking protocol
JWT support for Scala. Bonus extensions for Play, Play JSON, Json4s, Circe, uPickle, Spray and Argonaut
A predictable state management library that helps implement the BLoC design pattern
Open source code for AlphaFold 2.
Fast calculation of hydrogen-bond strengths and free energy of hydration of small molecules.
Implementation of Vision Transformer, a simple way to achieve SOTA in vision classification with only a single transformer encoder, in Pytorch
Cloud-based molecular simulations for everyone
The WebRTC module for React Native
Making Protein Design accessible to all via Google Colab!
Automated Adaptive Absolute alchemical Free Energy calculator
Integrated Cell project implemented in pytorch
Plausibility checks for generated molecule poses.