Alternatives and similar repositories for GenScore

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

• ACE-KAIST / DeepICL
  Official Github for "3D Molecular Generative Framework for Interaction-guided Drug Design" (Nature Communications)
  ☆63Updated last year
• ComputArtCMCG / PLANET
  ☆68Updated last year
• sc8668 / RTMScore
  ☆105Updated 2 years ago
• OdinZhang / Delete
  A universal structure-directed lead optimization
  ☆47Updated 5 months ago
• stonewiseAIDrugDesign / Lingo3DMol
  ☆58Updated last year
• zjujdj / InteractionGraphNet
  InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…
  ☆46Updated 2 years ago
• OdinZhang / ResGen
  3D_Molecular_Generation
  ☆99Updated 9 months ago
• schrojunzhang / KarmaDock
  ☆122Updated last year
• Brian-hongyan / 3D-MCTS
  3D-MCTS: A general structure-based molecule generation method with MCTS.
  ☆43Updated last year
• mseok / PIGNet2
  Official implementation of "PIGNet2: a versatile deep learning-based proteinligand interaction prediction model for binding affinity scor…
  ☆19Updated last week
• freeenergylab / FEP-SPell-ABFE
  FEP-SPell-ABFE: An Open Source Alchemical Absolute Binding Free Energy Calculation Workflow for Drug Discovery
  ☆70Updated 7 months ago
• pengxingang / PocketXMol
  Implementation of PocketXMol, the pocket-interacting molecular generative foundation model.
  ☆68Updated 2 months ago
• zchwang / DeepRMSD-Vina_Optimization
  DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.
  ☆42Updated last year
• MolecularAI / Lib-INVENT
  ☆56Updated 2 years ago
• SeonghwanSeo / PharmacoNet
  Official Github for "PharmacoNet: deep learning-guided pharmacophore modeling for ultra-large-scale virtual screening" (Chemical Science)
  ☆76Updated last month
• durrantlab / deepfrag
  DeepFrag is a deep convolutional neural network that guides ligand optimization by extending a ligand with a molecular fragment, such tha…
  ☆26Updated last month
• DrugBud-Suite / CADD_Vault
  ☆53Updated 5 months ago
• OdinZhang / AI-Physics-DrugDiscovery
  my own studied materials and scripts
  ☆52Updated 4 months ago
• THGLab / HiQBind
  Workflow to clean up and fix structural problems in protein-ligand binding datasets
  ☆52Updated 3 months ago
• ETHmodlab / dragonfly_gen
  De novo drug design with deep interactome learning
  ☆36Updated 2 months ago
• guaguabujianle / GIGN
  ☆44Updated 2 years ago
• forlilab / cosolvkit
  CosolvKit is a versatile tool for cosolvent MD preparation and analysis
  ☆25Updated 3 months ago
• quantaosun / Dock-MD-FEP
  Open Source, Automated free binding free energy calculation between protein and small molecule. An all-in-one workflow, free energy pertu…
  ☆56Updated 4 months ago
• coleygroup / shepherd
  Training and inference code for ShEPhERD: Diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design [ICLR 2025 ora…
  ☆77Updated last month
• 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
• clinfo / SBMolGen
  ☆42Updated 3 years ago
• cyangNYU / delta_LinF9_XGB
  ☆14Updated 3 years ago
• Chokyotager / NotYetAnotherNightshade
  Graph variational encoders for drug engineering and potentiation
  ☆30Updated 2 years ago
• schrodinger / public_binding_free_energy_benchmark
  The public versio
  ☆61Updated 2 years ago