Toolbox for molecular animations in Blender, powered by Geometry Nodes.
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Updated
Jul 23, 2024 - Python
Toolbox for molecular animations in Blender, powered by Geometry Nodes.
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
A Python API for the RCSB Protein Data Bank (PDB)
MoleculeKit: Your favorite molecule manipulation kit
A PyTorch framework for prediction of tertiary protein structure
Official code repository for EquiFold: Protein Structure Prediction with a Novel Coarse-Grained Structure Representation
Implementation and replication of ProGen, Language Modeling for Protein Generation, in Jax
Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023
Python macromolecular parsing (with .pdb/.cif/.mmtf parsing and production)
Official repo of the modular BioExcel version of HADDOCK
Open source biolab
A geometric deep learning pipeline for predicting protein interface contacts. (ICLR 2022)
Contextualizing protein representations using deep learning on protein networks and single-cell data
Official repository for discrete Walk-Jump Sampling (dWJS)
Multi-Scale Representation Learning on Proteins (NeurIPS 2021)
Inference code for PoET: A generative model of protein families as sequences-of-sequences
The Enhanced Database of Interacting Protein Structures for Interface Prediction
A Python package to calculate, visualize and analyze correlation maps of proteins.
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