ColabFold on your local PC

One protein is all you need

Machine learning prediction of enzyme optimum pH

Central repository for biomolecular foundation models with shared trainers and pipeline components

A generalized computational framework for biomolecular modeling.

Code for deep learning guided design of dynamic proteins

Logan Unitigs and Contigs

Tutorials on CP2K calculations

Hangover runs Win64 and Win32 applications on arm64 Linux

Inference code for RFdiffusion2

Fast indexing and search of discontinuous motifs in protein structures

MDGraphEmb: A Toolkit for Graph Embedding and Classification of Protein Conformational Ensembles

Prediction of alternative conformation and fold-switching proteins with ColabFold

Exploring the conformational ensembles of protein-protein complexes with transformer-based generative neural networks

P2DFlow: A Protein Ensemble Generative Model with SE(3) Flow Matching

PROPKA predicts the pKa values of ionizable groups in proteins and protein-ligand complexes based in the 3D structure.

ProtFlow Implementation of the RiffDiff pipeline to design enzymes from theozymes.

PLACER is graph neural network for local prediction of protein-ligand conformational ensembles.

code and source data for de novo design of Kemp elimination paper

P2Rank: Protein-ligand binding site prediction from protein structure based on machine learning.