microsoft/bioemu-benchmarks

Biobb (BioExcel building blocks) packages are Python building blocks that create new layer of compatibility and interoperability over popular bioinformatics tools.

Sire Molecular Simulations Framework

AlphaFold 3 inference pipeline.

Official repository for the Boltz biomolecular interaction models

Inference code for scalable emulation of protein equilibrium ensembles with generative deep learning

OpenMM is a toolkit for molecular simulation using high performance GPU code.

Context Parallelism Code for Boltz-2

Comprehensive benchmarking of protein-ligand structure prediction methods. (Nature Machine Intelligence)

High level API for using machine learning models in OpenMM simulations