Alternatives and similar repositories for TocoDecoy

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

• MolecularAI / DockStreamCommunity
  ☆28Updated 2 years ago
• Brian-hongyan / DeepCoSI
  DeepCoSI: a Structure-based Deep Graph Learning Network Method for Covalent Binding Site Identification.
  ☆14Updated 2 years ago
• gaoqiweng / PROTAC-Model
  Integrative modeling of PROTAC-mediated ternary complex
  ☆29Updated 3 years ago
• MolecularAI / Lib-INVENT-dataset
  ☆22Updated 2 years ago
• oxpig / MolSnapper
  ☆54Updated 9 months ago
• hnlab / BindingNet
  ☆26Updated last year
• Vfold-RNA / RLDOCK
  ☆32Updated last year
• iipharma / transpharmer-repo
  ☆41Updated 10 months ago
• AspirinCode / GENiPPI
  Interface-aware molecular generative framework for protein-protein interaction modulators
  ☆18Updated last year
• NilsDunlop / PROTACFold
  A toolkit developed to predict and analyze PROTAC-mediated ternary complexes using AlphaFold3 and Boltz-1.
  ☆40Updated 6 months ago
• biomed-AI / DRlinker
  ☆26Updated 3 years ago
• molML / traversing_chem_space
  Small molecules discovery with different active deep learning strategies. Codebase for the paper: "Traversing chemical space with active …
  ☆28Updated last year
• coleygroup / shepherd-score
  Interaction profile extraction, scoring, alignment and evaluation of ShEPhERD. [ICLR 2025]
  ☆33Updated 2 weeks ago
• SongXia-NYU / DiffDock-NMDN
  ☆17Updated last week
• zhenglz / OnionNet-SFCT
  Improving protein–ligand docking and screening accuracies by incorporating a scoring function correction term
  ☆29Updated last year
• jkwang93 / ChemistGA
  ☆22Updated 3 years ago
• micahwang / RELATION
  ☆17Updated 3 years ago
• rareylab / InteractionDrawer
  InteractionDrawer is a JavaScript library for the drawing of highly interactive 2D ligand interaction diagrams.
  ☆26Updated 2 years ago
• ohuelab / QEPPI
  Quantitative Estimate Index for Early-Stage Screening of Compounds Targeting Protein-Protein Interactions
  ☆18Updated 2 years ago
• zjujdj / MetalProGNet
  ☆13Updated last year
• tiantz17 / CARA
  Benchmarking compound activity prediction for real-world drug discovery applications
  ☆14Updated last year
• molinfo-vienna / apo2ph4
  A versatile workflow for the generation of receptor-based pharmacophore models for virtual screening
  ☆32Updated 8 months ago
• Albert-Lau-Lab / tactics_protein_analysis
  ☆17Updated 2 years ago
• zchwang / DeepRMSD-Vina_Optimization
  DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.
  ☆43Updated 2 years ago
• jacquesboitreaud / OptiMol
  Optimization of binding affinities in chemical space for drug discovery
  ☆35Updated 3 years ago
• pfizer-opensource / transform-molecules
  ☆17Updated 2 years ago
• oxpig / DEVELOP
  ☆57Updated last year
• keiserlab / autofragdiff
  Autoregressive fragment-based diffusion for target-aware ligand design
  ☆32Updated last year
• chembl / compound_target_pairs_dataset
  Automatic extraction of interacting compound-target pairs from ChEMBL.
  ☆21Updated 4 months ago
• VicFisher / DiffPhore
  Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping
  ☆46Updated 2 weeks ago