Alternatives and similar repositories for TargetGAN

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

• iipharma / transpharmer-repo
  ☆41Updated 9 months ago
• VicFisher / DiffPhore
  Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping
  ☆46Updated 6 months ago
• MolecularAI / PepINVENT
  ☆56Updated 9 months ago
• zchwang / DeepRMSD-Vina_Optimization
  DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.
  ☆43Updated last year
• karanicolaslab / PROTAC_ternary
  ☆19Updated 3 years ago
• Chokyotager / NotYetAnotherNightshade
  Graph variational encoders for drug engineering and potentiation
  ☆30Updated 2 years ago
• oxpig / MolSnapper
  ☆52Updated 7 months ago
• ChatterjeeAyan / AI-Bind
  Interpretable AI pipeline improving binding predictions for novel protein targets and ligands
  ☆31Updated last year
• ETHmodlab / dragonfly_gen
  De novo drug design with deep interactome learning
  ☆41Updated 6 months ago
• ashipiling / GPT_3DSMILES
  ☆31Updated 3 months ago
• jamesgleave / DeepDockingGUI
  ☆37Updated 3 years ago
• vktrannguyen / MLSF-protocol
  ☆41Updated last year
• monterosatx / gloop-mining
  Code used in paper for G-loop mining.
  ☆18Updated 10 months ago
• MolecularAI / Lib-INVENT-dataset
  ☆22Updated 2 years ago
• zchwang / OnionNet-2
  OnionNet-2 is constructed based on convolutional neural network (CNN) to predict the protein-ligand binding affinity.
  ☆22Updated last year
• SongXia-NYU / DiffDock-NMDN
  ☆16Updated last year
• Hoecker-Lab / pocketoptimizer
  Binding pocket optimization based on force fields and docking scoring functions
  ☆37Updated 9 months ago
• stonewiseAIDrugDesign / Lingo3DMol
  ☆61Updated 2 years ago
• CAODH / EquiScore
  ☆80Updated last year
• MorganCThomas / SMILES-RNN
  Repository for SMILES-based RNNs for reinforcement learning-based de novo molecule generation
  ☆65Updated last month
• giaguaro / PROTACable
  PROTACable is an end-to-end in-silico design toolkit for novel PROTACs
  ☆29Updated last year
• OdinZhang / Delete
  A universal structure-directed lead optimization
  ☆63Updated 9 months ago
• OdinZhang / FragGen
  This Code is for Fragment-wise 3D Structure-based Molecular Generation with Reliable Geometry
  ☆29Updated 9 months ago
• kuangxh9 / SuperWater
  Implementation for SuperWater
  ☆38Updated last month
• tiejundong / FlexPose
  FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.
  ☆54Updated last year
• Zhang-Runze / PackDock
  PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking
  ☆35Updated 2 months ago
• ninglab / DiffSMol
  ☆41Updated 5 months ago
• AnHorn / AIMLinker
  Fragment Linker Prediction Using Deep Encoder-Decoder Network for PROTAC Drug Design
  ☆12Updated 2 years ago
• hnlab / BindingNet
  ☆26Updated last year
• novonordisk-research / pepfunn
  Python package for the analysis of natural and modified peptides using a set of modules to study their sequences
  ☆43Updated 3 weeks ago