Alternatives and similar repositories for KDeep

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

• zjujdj / InteractionGraphNet
  InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…
  ☆45Updated 2 years ago
• oxpig / DEVELOP
  ☆56Updated last year
• ziqi92 / Modof
  Molecule Optimization via Fragment-based Generative Models
  ☆42Updated 2 years ago
• Brian-hongyan / 3D-MCTS
  3D-MCTS: A general structure-based molecule generation method with MCTS.
  ☆42Updated last year
• biomed-AI / DRlinker
  ☆25Updated 2 years ago
• hnlab / BindingNet
  ☆25Updated last year
• OdinZhang / SDEGen
  ☆23Updated 2 years ago
• guaguabujianle / GIGN
  ☆43Updated last year
• DrugAI / ACNet
  ☆16Updated 3 years ago
• micahwang / RELATION
  ☆17Updated 2 years ago
• MatthewMasters / EDM-Dock
  ☆32Updated 2 years ago
• stonewiseAIDrugDesign / Lingo3DMol
  ☆57Updated last year
• zchwang / OnionNet-2
  OnionNet-2 is constructed based on convolutional neural network (CNN) to predict the protein-ligand binding affinity.
  ☆19Updated last year
• qiangbo1222 / Uni-RXN-official
  ☆27Updated last year
• zchwang / DeepRMSD-Vina_Optimization
  DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.
  ☆42Updated last year
• coleygroup / shepherd
  Training and inference code for ShEPhERD: Diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design [ICLR 2025 ora…
  ☆72Updated this week
• CSUBioGroup / PGMG
  The official PyTorch implementation of PGMG: A Pharmacophore-Guided Deep Learning Approach for Bioactive Molecule Generation.
  ☆63Updated last year
• wyji001 / Point-Cloud
  ☆21Updated 3 years ago
• YuYaoYang2333 / SyntaLinker
  Automatic Fragment Linking with Deep Conditional Transformer Neural Networks
  ☆56Updated 3 years ago
• MarcMoesser / Protein-Ligand-Interaction-Graphs
  ☆40Updated 2 years ago
• anny0316 / GEOM-CVAE
  ☆15Updated 3 years ago
• j9650 / MedusaGraph
  ☆28Updated 2 years ago
• MolecularAI / Lib-INVENT
  ☆56Updated 2 years ago
• jaechanglim / GGM
  graph generative model for molecule
  ☆39Updated 5 years ago
• OdinZhang / AI-Physics-DrugDiscovery
  my own studied materials and scripts
  ☆51Updated 3 months ago
• zchwang / IGModel
  This is the first model that can simultaneously predict the RMSD of the ligand docking pose and the binding strength against the target.
  ☆18Updated 6 months ago
• jkwang93 / ChemistGA
  ☆24Updated 2 years ago
• THGLab / LP-PDBBind
  ☆44Updated 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