Alternatives and similar repositories for gcWGAN

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

• sarisabban / RamaNet
  Preforms De novo protein design using machine learning and PyRosetta to generate a novel protein structure
  ☆52Updated 5 months ago
• cieplinski-tobiasz / smina-docking-benchmark
  ☆74Updated 2 years ago
• DS3Lab / RosENet
  ☆37Updated 4 years ago
• stemylonas / DeepSurf
  A surface-based deep learning approach for the prediction of ligand binding sites on proteins
  ☆44Updated 2 years ago
• MattMcPartlon / protein-docking
  Code for "A Deep Learning Framework for Flexible Docking and Design"
  ☆16Updated 2 years ago
• Minys233 / Dynaformer
  ☆30Updated last year
• maxime-langevin / scaffold-constrained-generation
  ☆37Updated 4 years ago
• Graylab / deepH3-distances-orientations
  ☆35Updated 3 years ago
• ericmjl / protein-interaction-network
  Computes a molecular graph for protein structures.
  ☆58Updated last week
• nanand2 / protein_seq_des
  Code for our paper "Protein sequence design with a learned potential"
  ☆34Updated 4 years ago
• 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
• skinnider / low-data-generative-models
  ☆20Updated 4 years ago
• phermosilla / IEConv_proteins
  Intrinsic-Extrinsic Convolution and Pooling for Learning on 3D Protein Structures
  ☆48Updated 3 years ago
• i-Molecule / bitenet
  Spatiotemporal identification of druggable binding sites using deep learning
  ☆22Updated 4 years ago
• jaaamessszzz / BindingSitesFromFragments
  De novo design of small molecule binding sites into proteins
  ☆12Updated 4 years ago
• fimrie / DeLinker
  ☆38Updated 4 years ago
• ElwynWang / DeepFragLib
  ☆29Updated 5 years ago
• sirimullalab / DLSCORE
  DLSCORE: A deep learning based scoring function for predicting protein-ligand binding affinity
  ☆48Updated 2 years ago
• IBM / fold2seq
  Code for Fold2Seq paper from ICML 2021
  ☆50Updated 3 years ago
• LDeng0205 / confidence-bootstrapping
  Implementation of the Confidence Bootstrapping procedure for protein-ligand docking.
  ☆26Updated last year
• jacquesboitreaud / OptiMol
  Optimization of binding affinities in chemical space for drug discovery
  ☆35Updated 2 years ago
• cgoliver / RNAmigos
  GCN implementation for RNA-small molecule binding prediction. (https://academic.oup.com/nar/article/48/14/7690/5870337)
  ☆16Updated last year
• gnina / scripts
  ☆26Updated last year
• drorlab / DIPS
  Database of Interacting Protein Structures (DIPS)
  ☆102Updated 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
• nekitmm / DLPacker
  DLPacker
  ☆31Updated 11 months ago
• jscant / PointVS
  SE(3)-equivariant point cloud networks for virtual screening
  ☆20Updated 2 years ago
• clinfo / DEFMap
  DEFMap: Dynamics Extraction From cryo-em Map
  ☆26Updated 2 years ago
• Sundw-818 / DSR
  The code for NeurIPS 2023 paper DSR
  ☆12Updated last year
• RMeli / gnina-torch
  🔥 PyTorch implementation of GNINA scoring function for molecular docking
  ☆65Updated 5 months ago