#Protein-structure
Showing 24 of 24 repositories tagged #protein-structure, ranked by stars
Official git repository for Biopython (originally converted from CVS)
Protein Graph Library
Standardized data set for machine learning of protein structure
Tasks Assessing Protein Embeddings (TAPE), a set of five biologically relevant semi-supervised learning tasks spread across different domains of protein biology.
Protein-Ligand Interaction Profiler - Analyze and visualize non-covalent protein-ligand interactions in PDB files according to 📝 Schake, Bolz, et al. (2025), https://doi.org/10.1093/nar/gkaf361
Get protein embeddings from protein sequences
Protein-protein, protein-peptide and protein-DNA docking framework based on the GSO algorithm
A collection of research papers for AI-based protein design
This is the repository for the Stmol project, a Streamlit component that uses py3Dmol to render molecules.
VSCode Extension for interactively visualising protein structure data in the editor
View proteins and trajectories in the terminal
DrugHIVE: Structure-based drug design with a deep hierarchical generative model
A Text-guided Protein Design Framework, Nat Mach Intell 2025 (https://www.nature.com/articles/s42256-025-01011-z)
🧬 An R package for visualizing molecular data in 3D
Making folding experiments more accessible .
Implementation of DiffPack: A Torsional Diffusion Model for Autoregressive Protein Side-Chain Packing
Codebase of paper "Structure Language Models for Protein Conformation Generation" (ICLR'25)
Structural Bioinformatics is awesome. Throw your textbook in the garbage, light the garbage can on fire, and blend the ashes into your cold brew almond milk latte and read this.
🧬 ManyFold: An efficient and flexible library for training and validating protein folding models
Methods for the parallel and distributed analysis and mining of the Protein Data Bank using MMTF and Apache Spark.
Paratope Prediction using Deep Learning
Preforms De novo protein design using machine learning and PyRosetta to generate a novel protein structure
This is the official repository of paper - GeoAB: Towards Realistic Antibody Design and Reliable Affinity Maturation (ICML2024)
Python snippets for PyMOL to be run in Jupyterlab via the jupyterlab-snippets-multimenus extension.