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
  ☆40Updated 3 months ago
• iipharma / transpharmer-repo
  ☆40Updated 6 months ago
• zchwang / DeepRMSD-Vina_Optimization
  DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.
  ☆42Updated last year
• giaguaro / PROTACable
  PROTACable is an end-to-end in-silico design toolkit for novel PROTACs
  ☆29Updated last year
• oxpig / MolSnapper
  ☆51Updated 4 months ago
• karanicolaslab / PROTAC_ternary
  ☆19Updated 3 years ago
• zchwang / OnionNet-2
  OnionNet-2 is constructed based on convolutional neural network (CNN) to predict the protein-ligand binding affinity.
  ☆20Updated last year
• Chokyotager / NotYetAnotherNightshade
  Graph variational encoders for drug engineering and potentiation
  ☆30Updated 2 years ago
• MolecularAI / PepINVENT
  ☆46Updated 6 months ago
• PKUGaoGroup / DSDPFlex
  DSDPFlex: Flexible-Receptor Docking with GPU Acceleration
  ☆24Updated 3 months ago
• MolecularAI / Lib-INVENT-dataset
  ☆21Updated 2 years ago
• ninglab / DiffSMol
  ☆37Updated 2 months ago
• yydiao1025 / MacFrag
  ☆27Updated 2 years ago
• vktrannguyen / MLSF-protocol
  ☆39Updated last year
• CAODH / EquiScore
  ☆77Updated last year
• Hoecker-Lab / pocketoptimizer
  Binding pocket optimization based on force fields and docking scoring functions
  ☆34Updated 6 months ago
• fimrie / DeepCoy
  ☆30Updated last year
• jRicciL / ML-ensemble-docking
  Improving Structure-Based Virtual Screening with Ensemble Docking and Machine Learning
  ☆24Updated 3 years ago
• tiantz17 / CARA
  Benchmarking compound activity prediction for real-world drug discovery applications
  ☆14Updated last year
• ashipiling / GPT_3DSMILES
  ☆30Updated last month
• OdinZhang / FragGen
  This Code is for Fragment-wise 3D Structure-based Molecular Generation with Reliable Geometry
  ☆28Updated 6 months ago
• THGLab / HiQBind
  Workflow to clean up and fix structural problems in protein-ligand binding datasets
  ☆55Updated 4 months ago
• MorganCThomas / SMILES-RNN
  Repository for SMILES-based RNNs for reinforcement learning-based de novo molecule generation
  ☆61Updated 2 weeks ago
• grisoniFr / scaffold_hopping_whales
  Code to perform scaffold hopping and virtual screening using WHALES descriptors.
  ☆31Updated 4 years ago
• AnHorn / AIMLinker
  Fragment Linker Prediction Using Deep Encoder-Decoder Network for PROTAC Drug Design
  ☆11Updated 2 years ago
• zjujdj / InteractionGraphNet
  InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…
  ☆46Updated 2 years ago
• SongXia-NYU / DiffDock-NMDN
  ☆16Updated 11 months ago
• brueckna2020 / MDFit
  Automated molecular dynamics simulations workflow for high-throughput assessment of protein-ligand dynamics
  ☆19Updated last year
• monterosatx / gloop-mining
  Code used in paper for G-loop mining.
  ☆18Updated 7 months ago
• hnlab / BindingNet
  ☆25Updated last year