protein-docking

Here are 9 public repositories matching this topic...

PaddlePaddle / PaddleHelix

Bio-Computing Platform Featuring Large-Scale Representation Learning and Multi-Task Deep Learning “螺旋桨”生物计算工具集

machine-learning ddi deeplearning representation-learning ppi rna-structure-prediction protein-design dti protein-folding protein-structure-prediction biocomputing self-supervised-learning graph-networks protein-docking molecule-design

Updated Mar 1, 2023
Python

RosettaCommons / PyRosetta.notebooks

Star

Jupyter Notebooks for learning the PyRosetta platform for biomolecular structure prediction and design

jupyter-notebook dna rosetta rna-structure-prediction protein-design protein-folding protein-structure-prediction google-colab pyrosetta protein-docking

Updated Sep 16, 2022
Jupyter Notebook

lightdock / lightdock

Star

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

bioinformatics chemistry structural-biology molecular-structures protein-structure artificial-intelligence dna protein proteomics docking peptides molecular-biology protein-design protein-protein-interaction swarm-intelligence structural-bioinformatics protein-dna-interactions bioinformatics-tool glowworm-swarm-optimization protein-docking

Updated Mar 7, 2023
Python

Shen-Lab / BAL

Star

Bayesian Active Learning for Optimization and Uncertainty Quantification with Applications to Protein Docking

uncertainty-quantification bayesian-optimization protein-docking

Updated Apr 28, 2021
C++

rvhonorato / gdock

Star

Protein-Protein Docking using Genetic Algorithm

bioinformatics chemistry structural-biology genetic-algorithm protein-structure computational-biology protein docking protein-protein-interaction deap structural-bioinformatics protein-docking

Updated Sep 7, 2022
Python

haddocking / arctic3d

Star

Automatic Retrieval and ClusTering of Interfaces in Complexes from 3D structural information

data-mining clustering data-retrieval utrecht-university pdbe-s-rest-api protein-docking macromolecular-modeling

Updated Mar 14, 2023
Python

sabifo4 / VSpipe

Star

VSpipe - A pipeline to carry out virtual screenings

pipeline virtual-screening protein-docking

Updated Dec 8, 2021

zakimjz / ContextShapes

Star

ContextShapes Algorithm for rigid-body protein shape matching and docking

protein-structure protein-docking 3d-shape-matching context-shapes

Updated Mar 30, 2020
C

cbstanley / docking

Star

A set of molecular docking tools and analysis

molecular-docking protein-structure-analysis protein-docking

Updated Jul 25, 2022
Jupyter Notebook

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