Standardized data set for machine learning of protein structure
-
Updated
Nov 18, 2020 - Python
Standardized data set for machine learning of protein structure
EquiBind: geometric deep learning for fast predictions of the 3D structure in which a small molecule binds to a protein
Toolbox for molecular animations in Blender, powered by Geometry Nodes.
A Python API for the RCSB Protein Data Bank (PDB)
A PyTorch framework for prediction of tertiary protein structure
MoleculeKit: Your favorite molecule manipulation kit
Official repo of the modular BioExcel version of HADDOCK
Python macromolecular parsing (with .pdb/.cif/.mmtf parsing and production)
Implementation and replication of ProGen, Language Modeling for Protein Generation, in Jax
Official code repository for EquiFold: Protein Structure Prediction with a Novel Coarse-Grained Structure Representation
A geometric deep learning pipeline for predicting protein interface contacts. (ICLR 2022)
Prediction of binding residues for metal ions, nucleic acids, and small molecules.
Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023
Partner specific prediction of protein binding sites
The Enhanced Database of Interacting Protein Structures for Interface Prediction
Multi-Scale Representation Learning on Proteins (NeurIPS 2021)
A Python package to calculate, visualize and analyze correlation maps of proteins.
Official repository for discrete Walk-Jump Sampling (dWJS)
pyMBE provides tools to facilitate building up molecules with complex architectures in the Molecular Dynamics software ESPResSo. For an up-to-date API documention please check our website:
Add a description, image, and links to the proteins topic page so that developers can more easily learn about it.
To associate your repository with the proteins topic, visit your repo's landing page and select "manage topics."