Alternatives and similar repositories for GeminiMol:

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

• Chokyotager / NotYetAnotherNightshade
  Graph variational encoders for drug engineering and potentiation
  ☆29Updated last year
• MolecularAI / DockStream
  DockStream: A Docking Wrapper to Enhance De Novo Molecular Design
  ☆116Updated 2 years ago
• schrojunzhang / KarmaDock
  ☆112Updated 9 months ago
• ComputArtCMCG / PLANET
  ☆58Updated last year
• OdinZhang / Delete
  A universal structure-directed lead optimization
  ☆39Updated last month
• SeonghwanSeo / PharmacoNet
  Official Github for "PharmacoNet: deep learning-guided pharmacophore modeling for ultra-large-scale virtual screening" (Chemical Science)
  ☆70Updated 3 months ago
• JU-HuaY / MFR
  ☆10Updated last year
• iipharma / transpharmer-repo
  ☆33Updated last month
• zchwang / DeepRMSD-Vina_Optimization
  DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.
  ☆42Updated last year
• akiyamalab / cycpeptmp
  Implementation of CycPeptMP, an accurate and efficient model for predicting the membrane permeability of cyclic peptides
  ☆21Updated 2 weeks ago
• VicFisher / DiffPhore
  Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping
  ☆33Updated 2 weeks ago
• ETHmodlab / dragonfly_gen
  De novo drug design with deep interactome learning
  ☆33Updated 11 months ago
• tiantz17 / PocketAnchor
  Learning Structure-based Pocket Representations for Protein-Ligand Interaction Prediction
  ☆33Updated last year
• 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, …
  ☆57Updated 6 months ago
• Wang-Lin-boop / AutoMD
  Easy to get started with molecular dynamics simulation.
  ☆55Updated 2 months ago
• tiejundong / FlexPose
  FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.
  ☆54Updated last year
• sc8668 / RTMScore
  ☆100Updated 2 years ago
• Brian-hongyan / 3D-MCTS
  3D-MCTS: A general structure-based molecule generation method with MCTS.
  ☆42Updated 10 months ago
• mindrank-ai / PharmaBench
  ☆37Updated last year
• MolecularAI / Lib-INVENT
  ☆56Updated 2 years ago
• THGLab / LP-PDBBind
  ☆38Updated last year
• OdinZhang / ResGen
  3D_Molecular_Generation
  ☆87Updated 5 months ago
• sun-heqi / MultiPPIMI
  A deep learning framework for predicting interactions between protein-protein interaction targets and modulators
  ☆14Updated last year
• wzxxxx / MGA
  MGA
  ☆42Updated 4 years ago
• MatthewMasters / EDM-Dock
  ☆32Updated 2 years ago
• plainerman / DiffDock-Pocket
  Implementation of DiffDock-Pocket: Diffusion for Pocket-Level Docking with Side Chain Flexibility
  ☆30Updated 9 months ago
• guaguabujianle / EHIGN_PLA
  ☆20Updated 11 months ago
• ifyoungnet / ADMETlab
  A platform for systematic ADME evaluation of drug molecules, thereby accelerating the drug discovery process.
  ☆65Updated 10 months ago
• jamesgleave / DeepDockingGUI
  ☆37Updated 2 years ago
• HBioquant / DiffBindFR
  Diffusion model based protein-ligand flexible docking method
  ☆105Updated 6 months ago