Alternatives and similar repositories for TargetGAN

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

• VicFisher / DiffPhore
  Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping
  ☆46Updated 7 months ago
• iipharma / transpharmer-repo
  ☆41Updated 9 months ago
• zchwang / DeepRMSD-Vina_Optimization
  DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.
  ☆43Updated last year
• Zhang-Runze / PackDock
  PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking
  ☆49Updated 2 months ago
• Hoecker-Lab / pocketoptimizer
  Binding pocket optimization based on force fields and docking scoring functions
  ☆37Updated 9 months ago
• Chokyotager / NotYetAnotherNightshade
  Graph variational encoders for drug engineering and potentiation
  ☆30Updated 2 years ago
• MolecularAI / PepINVENT
  ☆57Updated 9 months ago
• OdinZhang / FragGen
  This Code is for Fragment-wise 3D Structure-based Molecular Generation with Reliable Geometry
  ☆29Updated 9 months ago
• zchwang / OnionNet-2
  OnionNet-2 is constructed based on convolutional neural network (CNN) to predict the protein-ligand binding affinity.
  ☆23Updated last year
• oxpig / MolSnapper
  ☆53Updated 8 months ago
• MolecularAI / Lib-INVENT-dataset
  ☆22Updated 2 years ago
• giaguaro / PROTACable
  PROTACable is an end-to-end in-silico design toolkit for novel PROTACs
  ☆29Updated last year
• knu-lcbc / RetroTRAE
  Retrosynthetic prediction with Atom Environments
  ☆38Updated 2 years ago
• plainerman / DiffDock-Pocket
  Implementation of DiffDock-Pocket: Diffusion for Pocket-Level Docking with Side Chain Flexibility
  ☆34Updated last year
• grisoniFr / scaffold_hopping_whales
  Code to perform scaffold hopping and virtual screening using WHALES descriptors.
  ☆33Updated 5 years ago
• songleee / LS-MolGen
  A ligand-and-structure dual-driven deep reinforcement learning method for target-specific molecular generation
  ☆38Updated 7 months ago
• yydiao1025 / MacFrag
  ☆29Updated 2 years ago
• MorganCThomas / SMILES-RNN
  Repository for SMILES-based RNNs for reinforcement learning-based de novo molecule generation
  ☆65Updated 2 months ago
• karanicolaslab / PROTAC_ternary
  ☆19Updated 3 years ago
• ninglab / DiffSMol
  ☆41Updated 6 months ago
• AnHorn / AIMLinker
  Fragment Linker Prediction Using Deep Encoder-Decoder Network for PROTAC Drug Design
  ☆12Updated 2 years ago
• SongXia-NYU / DiffDock-NMDN
  ☆17Updated last year
• stonewiseAIDrugDesign / Lingo3DMol
  ☆61Updated 2 years ago
• durrantlab / deepfrag
  DeepFrag is a deep convolutional neural network that guides ligand optimization by extending a ligand with a molecular fragment, such tha…
  ☆29Updated 6 months ago
• fimrie / DeepCoy
  ☆31Updated last year
• sun-heqi / MultiPPIMI
  A deep learning framework for predicting interactions between protein-protein interaction targets and modulators
  ☆14Updated 2 years ago
• uibcdf / OpenPharmacophore
  An open library to work with pharmacophores.
  ☆48Updated 2 years ago
• ETHmodlab / dragonfly_gen
  De novo drug design with deep interactome learning
  ☆41Updated 7 months ago
• Wang-Lin-boop / GeminiMol
  Incorporation of conformational space profile into molecular representation learning, and its application to drug discovery, including vi…
  ☆66Updated 5 months ago
• jamesgleave / DeepDockingGUI
  ☆37Updated 3 years ago