Alternatives and similar repositories for ResGen

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

• THGLab / LP-PDBBind
  ☆61Updated 6 months ago
• SeonghwanSeo / PharmacoNet
  Official Github for "PharmacoNet: deep learning-guided pharmacophore modeling for ultra-large-scale virtual screening" (Chemical Science)
  ☆85Updated 6 months ago
• sc8668 / GenScore
  ☆40Updated last year
• guaguabujianle / GIGN
  ☆48Updated 2 years ago
• ACE-KAIST / DeepICL
  Official Github for "3D Molecular Generative Framework for Interaction-guided Drug Design" (Nature Communications)
  ☆65Updated last year
• Brian-hongyan / 3D-MCTS
  3D-MCTS: A general structure-based molecule generation method with MCTS.
  ☆45Updated last year
• schrojunzhang / KarmaDock
  ☆132Updated last year
• zjujdj / InteractionGraphNet
  InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…
  ☆47Updated 2 years ago
• ComputArtCMCG / PLANET
  ☆75Updated 2 years ago
• pengxingang / PocketXMol
  Implementation of PocketXMol, the pocket-interacting molecular generative foundation model.
  ☆104Updated 3 weeks ago
• CMACH508 / KGDiff
  Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance
  ☆35Updated 2 years ago
• stonewiseAIDrugDesign / Lingo3DMol
  ☆60Updated 2 years ago
• OdinZhang / SurfGen
  SurfGen: Learning on Topological Surface and Geometric Structure for 3D Molecular Generation
  ☆70Updated last year
• Chokyotager / NotYetAnotherNightshade
  Graph variational encoders for drug engineering and potentiation
  ☆30Updated 2 years ago
• sc8668 / RTMScore
  ☆112Updated 2 years ago
• zaixizhang / DrugGPS_ICML23
  Implementation of ICML23 paper "Learning Subpocket Prototypes for Generalizable Structure-based Drug Design"
  ☆30Updated last year
• Wang-Lin-boop / GeminiMol
  Incorporation of conformational space profile into molecular representation learning, and its application to drug discovery, including vi…
  ☆66Updated 6 months ago
• OdinZhang / Delete
  A universal structure-directed lead optimization
  ☆65Updated 10 months ago
• MolecularAI / Lib-INVENT
  ☆63Updated 2 years ago
• CSUBioGroup / PGMG
  The official PyTorch implementation of PGMG: A Pharmacophore-Guided Deep Learning Approach for Bioactive Molecule Generation.
  ☆68Updated 2 years ago
• OdinZhang / AI-Physics-DrugDiscovery
  my own studied materials and scripts
  ☆58Updated last week
• carbonsilicon-ai / CarsiDock
  Official repo of "CarsiDock: a deep learning paradigm for accurate protein–ligand docking and screening based on large-scale pre-training…
  ☆108Updated 5 months ago
• coleygroup / shepherd
  Training and inference code for ShEPhERD: Diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design [ICLR 2025 ora…
  ☆85Updated last month
• MatthewMasters / EDM-Dock
  ☆32Updated 2 years ago
• zchwang / DeepRMSD-Vina_Optimization
  DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.
  ☆43Updated 2 years ago
• Layne-Huang / PMDM
  ☆145Updated 5 months ago
• THGLab / HiQBind
  Workflow to clean up and fix structural problems in protein-ligand binding datasets
  ☆68Updated 2 months ago
• MorganCThomas / SMILES-RNN
  Repository for SMILES-based RNNs for reinforcement learning-based de novo molecule generation
  ☆67Updated 2 months ago
• wzxxxx / MGA
  MGA
  ☆44Updated 5 years ago
• jkwang93 / Token-Mol
  Token-Mol 1.0：tokenized drug design with large language model
  ☆61Updated last month