Alternatives and similar repositories for ActFound

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

• Chokyotager / NotYetAnotherNightshade
  Graph variational encoders for drug engineering and potentiation
  ☆30Updated 2 years ago
• zchwang / DeepRMSD-Vina_Optimization
  DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.
  ☆43Updated last year
• ChatterjeeAyan / AI-Bind
  Interpretable AI pipeline improving binding predictions for novel protein targets and ligands
  ☆32Updated last year
• iipharma / transpharmer-repo
  ☆41Updated 9 months ago
• ninglab / DiffSMol
  ☆41Updated 6 months ago
• VicFisher / DiffPhore
  Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping
  ☆46Updated 7 months ago
• luoyunan / KDBNet
  Kinase–drug binding prediction with calibrated uncertainty quantification
  ☆23Updated last year
• molecularmodelinglab / plantain
  Fast and accurate molecular docking with an AI pose scoring function
  ☆42Updated last year
• mindrank-ai / PharmaBench
  ☆53Updated last year
• sun-heqi / MultiPPIMI
  A deep learning framework for predicting interactions between protein-protein interaction targets and modulators
  ☆14Updated 2 years ago
• recursionpharma / mole_public
  Recursion's molecular foundation model
  ☆65Updated 7 months ago
• CAODH / EquiScore
  ☆81Updated 2 years ago
• Barabasi-Lab / AI-Bind
  Interpretable AI pipeline improving binding predictions for novel protein targets and ligands
  ☆40Updated last year
• Zhang-Runze / PackDock
  PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking
  ☆49Updated 3 months ago
• MolecularAI / Lib-INVENT-dataset
  ☆22Updated 2 years ago
• tiejundong / FlexPose
  FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.
  ☆54Updated 2 years ago
• viko-3 / TargetGAN
  ☆28Updated 2 years ago
• j9650 / MedusaGraph
  ☆28Updated 3 years ago
• MolecularAI / PepINVENT
  ☆58Updated 9 months ago
• CSUBioGroup / PGMG
  The official PyTorch implementation of PGMG: A Pharmacophore-Guided Deep Learning Approach for Bioactive Molecule Generation.
  ☆68Updated 2 years ago
• MatthewMasters / EDM-Dock
  ☆32Updated 2 years ago
• drorlab / FRAME
  Fragment-based Molecular Expansion
  ☆27Updated 2 years ago
• DrugAI / ACNet
  ☆17Updated 3 years ago
• oxpig / DEVELOP
  ☆56Updated last year
• AspirinCode / GENiPPI
  Interface-aware molecular generative framework for protein-protein interaction modulators
  ☆18Updated last year
• bpmunson / polygon
  POLYGON VAE For de novo Polypharmacology
  ☆42Updated 10 months ago
• Vfold-RNA / RLDOCK
  ☆32Updated last year
• ziqi92 / Modof
  Molecule Optimization via Fragment-based Generative Models
  ☆43Updated 2 years ago
• SigmaGenX / TamGen
  ☆40Updated 7 months ago
• WeiLab-Biology / DeepProSite
  ☆34Updated 2 years ago