Alternatives and similar repositories for GenScore

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

• ComputArtCMCG / PLANET
  ☆62Updated last year
• OdinZhang / ResGen
  3D_Molecular_Generation
  ☆96Updated 7 months ago
• ACE-KAIST / DeepICL
  Official Github for "3D Molecular Generative Framework for Interaction-guided Drug Design" (Nature Communications)
  ☆61Updated last year
• zjujdj / InteractionGraphNet
  InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…
  ☆45Updated 2 years ago
• freeenergylab / FEP-SPell-ABFE
  FEP-SPell-ABFE: An Open Source Alchemical Absolute Binding Free Energy Calculation Workflow for Drug Discovery
  ☆67Updated 6 months ago
• mseok / PIGNet2
  Official implementation of "PIGNet2: a versatile deep learning-based proteinligand interaction prediction model for binding affinity scor…
  ☆19Updated 5 months ago
• stonewiseAIDrugDesign / Lingo3DMol
  ☆57Updated last year
• sc8668 / RTMScore
  ☆101Updated 2 years ago
• schrojunzhang / KarmaDock
  ☆114Updated 11 months ago
• OdinZhang / AI-Physics-DrugDiscovery
  my own studied materials and scripts
  ☆51Updated 3 months ago
• pengxingang / PocketXMol
  Implementation of PocketXMol, the pocket-interacting molecular generative foundation model.
  ☆50Updated 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…
  ☆25Updated 2 weeks ago
• karanicolaslab / PROTAC_ternary
  ☆18Updated 3 years ago
• ETHmodlab / dragonfly_gen
  De novo drug design with deep interactome learning
  ☆36Updated last month
• zchwang / DeepRMSD-Vina_Optimization
  DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.
  ☆42Updated last year
• guaguabujianle / GIGN
  ☆43Updated last year
• Brian-hongyan / 3D-MCTS
  3D-MCTS: A general structure-based molecule generation method with MCTS.
  ☆42Updated last year
• dooo12332 / AlphaTraj
  Pocket dynamics analysis tool
  ☆15Updated 2 months ago
• briandasantini / cPEPmatch
  Tool to design cyclic peptides that mimic proteins and target their binding partners.
  ☆14Updated last year
• cyangNYU / delta_LinF9_XGB
  ☆14Updated 3 years ago
• THGLab / HiQBind
  Workflow to clean up and fix structural problems in protein-ligand binding datasets
  ☆48Updated 2 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…
  ☆57Updated 2 months ago
• PKUGaoGroup / DSDP
  Deep Site and Docking Pose (DSDP) is a blind docking strategy accelerated by GPUs, developed by Gao Group. For the site prediction part, …
  ☆59Updated 2 weeks ago
• zchwang / OnionNet-2
  OnionNet-2 is constructed based on convolutional neural network (CNN) to predict the protein-ligand binding affinity.
  ☆19Updated last year
• huifengzhao / CPSet
  ☆11Updated last year
• keiradams / SQUID
  Official implementation of "Equivariant Shape-Conditioned Generation of 3D Molecules for Ligand-Based Drug Design"
  ☆65Updated 7 months ago
• tiejundong / FlexPose
  FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.
  ☆53Updated last year
• MolecularAI / Lib-INVENT
  ☆56Updated 2 years ago
• Gervasiolab / OpenBPMD
  ☆65Updated last year
• forlilab / cosolvkit
  CosolvKit is a versatile tool for cosolvent MD preparation and analysis
  ☆25Updated 2 months ago