Alternatives and similar repositories for DeepLocalProteinDocking

Users that are interested in DeepLocalProteinDocking are comparing it to the libraries listed below

• MattMcPartlon / protein-docking
  Code for "A Deep Learning Framework for Flexible Docking and Design"
  ☆16Updated 2 years ago
• casperg92 / MaSIF_colab
  dMaSIF implementation for google colab
  ☆32Updated 2 years ago
• Graylab / deepH3-distances-orientations
  ☆35Updated 3 years ago
• Shen-Lab / gcWGAN
  Guided Conditional Wasserstein GAN for De Novo Protein Design
  ☆37Updated 4 years ago
• DS3Lab / RosENet
  ☆37Updated 4 years ago
• zhenglz / OnionNet-SFCT
  Improving protein–ligand docking and screening accuracies by incorporating a scoring function correction term
  ☆28Updated 8 months ago
• DeepRank / iScore
  iScore: an MPI supported software for ranking protein-protein docking models based on a random walk graph kernel and support vector machi…
  ☆31Updated 3 years ago
• jacquesboitreaud / OptiMol
  Optimization of binding affinities in chemical space for drug discovery
  ☆35Updated 2 years ago
• aretasg / dockit
  High-throughput molecular docking with multiple targets and ligands using Vina series engines
  ☆32Updated 4 years ago
• kiharalab / Emap2sec
  Emap2sec is a computational tool to identify protein secondary structures
  ☆16Updated last year
• sarisabban / RamaNet
  Preforms De novo protein design using machine learning and PyRosetta to generate a novel protein structure
  ☆52Updated 5 months ago
• alexarnimueller / SMILES_generator
  Generative RNN for molecule de novo design
  ☆18Updated 3 years ago
• NasimAbdollahi / NodeCoder
  NodeCoder is a general framework based on graph convolutional neural network for protein function prediction.
  ☆33Updated last year
• zhenglz / onionnet
  A multiple-layer inter-molecular contact features based deep neural network for protein-ligand binding affinity prediction
  ☆81Updated 4 years ago
• Furman-Lab / Peptide_docking_with_AF2_and_RosettAfold
  Code and data used in https://doi.org/10.1101/2021.08.01.454656
  ☆53Updated 3 years ago
• gnina / scripts
  ☆26Updated last year
• PaccMann / paccmann_kinase_binding_residues
  Comparison of active site and full kinase sequences for drug-target affinity prediction and molecular generation. Full paper: https://pub…
  ☆36Updated 2 years ago
• fimrie / DeLinker
  ☆38Updated 4 years ago
• skinnider / low-data-generative-models
  ☆20Updated 4 years ago
• sirimullalab / KinasepKipred
  Model to predict kinase-ligand pKi values.
  ☆12Updated 2 years ago
• reymond-group / MLpeptide
  Machine Learning Designs Non-Hemolytic Antimicrobial Peptides
  ☆35Updated 4 years ago
• cieplinski-tobiasz / smina-docking-benchmark
  ☆74Updated 2 years ago
• deepchem / deepdock
  An experimental package for deep learning for molecular docking
  ☆20Updated 5 years ago
• zhenglz / dockingML
  A package for MD, Docking and Machine learning drug discovery pipeline
  ☆44Updated 5 years ago
• gdocking / gdock
  Protein-Protein Docking using Genetic Algorithm
  ☆17Updated last year
• kiharalab / GNN_DOVE
  Code for "Protein Docking Model Evaluation by Graph Neural Networks"
  ☆59Updated 2 years ago
• tommyhuangthu / EvoEF2
  Physical energy function for protein sequence design
  ☆33Updated 2 years ago
• CCBatIIT / AlGDock
  Molecular docking with Alchemical Interaction Grids
  ☆29Updated 2 weeks ago
• cadd-synthetic / GASA
  Synthetic Accessible Prediction of Organic Compounds based on Graph Attention Mechanism
  ☆22Updated last year
• jacquesboitreaud / vina_docking
  Python scripts for molecular docking of molecules vs DUDE protein targets, using Vina
  ☆22Updated 5 years ago