Alternatives and similar repositories for GAABind

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

• zchwang / DeepRMSD-Vina_Optimization
  DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.
  ☆42Updated last year
• Zhang-Runze / PackDock
  PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking
  ☆34Updated 11 months ago
• OdinZhang / FragGen
  This Code is for Fragment-wise 3D Structure-based Molecular Generation with Reliable Geometry
  ☆27Updated 5 months ago
• receptor-ai / pocket-cfdm
  Augmenting a training dataset of the generative diffusion model for molecular docking with artificial binding pockets
  ☆10Updated last month
• IDEA-XL / LigUnity
  Official implementation for paper: A foundation model for protein-ligand affinity prediction through Jointly optimizing virtual screening…
  ☆26Updated last month
• MatthewMasters / EDM-Dock
  ☆32Updated 2 years ago
• VicFisher / DiffPhore
  Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping
  ☆40Updated 3 months ago
• j9650 / MedusaGraph
  ☆28Updated 3 years ago
• sekijima-lab / DiffInt
  ☆17Updated 3 months ago
• SongXia-NYU / DiffDock-NMDN
  ☆16Updated 11 months ago
• zhangruochi / MolFeSCue
  ☆12Updated last year
• Rose-STL-Lab / FS-CAP
  few-shot compound activity regression
  ☆13Updated last year
• kuangxh9 / SuperWater
  Implementation for SuperWater
  ☆33Updated 3 months ago
• micahwang / RELATION
  ☆17Updated 2 years ago
• iipharma / transpharmer-repo
  ☆39Updated 5 months ago
• ACE-KAIST / DeepICL
  Official Github for "3D Molecular Generative Framework for Interaction-guided Drug Design" (Nature Communications)
  ☆63Updated last year
• guaguabujianle / GIGN
  ☆45Updated 2 years ago
• oxpig / MolSnapper
  ☆51Updated 4 months ago
• ohuelab / boltzina
  Boltzina: Efficient and Accurate Virtual Screening via Docking-Guided Binding Prediction with Boltz-2
  ☆46Updated 2 weeks ago
• coleygroup / shepherd
  Training and inference code for ShEPhERD: Diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design [ICLR 2025 ora…
  ☆77Updated 2 weeks ago
• ComputArtCMCG / PLANET
  ☆69Updated last year
• MolecularAI / PepINVENT
  ☆46Updated 6 months ago
• CSUBioGroup / PGMG
  The official PyTorch implementation of PGMG: A Pharmacophore-Guided Deep Learning Approach for Bioactive Molecule Generation.
  ☆64Updated last year
• Brian-hongyan / 3D-MCTS
  3D-MCTS: A general structure-based molecule generation method with MCTS.
  ☆44Updated last year
• sun-heqi / MultiPPIMI
  A deep learning framework for predicting interactions between protein-protein interaction targets and modulators
  ☆14Updated last year
• hnlab / BindingNet
  ☆25Updated last year
• mindrank-ai / PharmaBench
  ☆46Updated last year
• ashipiling / GPT_3DSMILES
  ☆30Updated 3 weeks ago
• stonewiseAIDrugDesign / Lingo3DMol
  ☆58Updated last year
• zhaisilong / awesome-peptide
  List of papers about Peptide research using Deep Learning
  ☆27Updated 4 months ago