protein-structure

Official git repository for Biopython (originally converted from CVS)

Trainable, memory-efficient, and GPU-friendly PyTorch reproduction of AlphaFold 2

Making Protein folding accessible to all!

Protein Graph Library

Toolbox for molecular animations in Blender, powered by Geometry Nodes.

Foldseek enables fast and sensitive comparisons of large structure sets.

Standardized data set for machine learning of protein structure

Working with molecular structures in pandas DataFrames

Tasks Assessing Protein Embeddings (TAPE), a set of five biologically relevant semi-supervised learning tasks spread across different domains of protein biology.

📖🔬☕ BioJava is an open-source project dedicated to providing a Java library for processing biological data.

Optimizing AlphaFold Training and Inference on GPU Clusters

Remote protein homology detection suite.

Protein-Ligand Interaction Profiler - Analyze and visualize non-covalent protein-ligand interactions in PDB files according to 📝 Adasme et al. (2021), https://doi.org/10.1093/nar/gkab294

EquiBind: geometric deep learning for fast predictions of the 3D structure in which a small molecule binds to a protein

Saprot: Protein Language Model with Structural Alphabet (AA+3Di)

Get protein embeddings from protein sequences

Molecular simulation in Julia

An open-source platform for developing protein models beyond AlphaFold.

Protein-protein, protein-peptide and protein-DNA docking framework based on the GSO algorithm

An all-atom protein structure dataset for machine learning.