Alternatives and similar repositories for mf-pcba

Users that are interested in mf-pcba are comparing it to the libraries listed below

• oxpig / STRIFE
  ☆16Updated 2 years ago
• chembl / compound_target_pairs_dataset
  Automatic extraction of interacting compound-target pairs from ChEMBL.
  ☆15Updated last year
• MolecularAI / Lib-INVENT-dataset
  ☆20Updated 2 years ago
• biomed-AI / DiffDec
  ☆34Updated 11 months ago
• jacquesboitreaud / OptiMol
  Optimization of binding affinities in chemical space for drug discovery
  ☆36Updated 2 years ago
• kimeguida / ProCare
  ProCare: A Point Cloud Registration Approach to Align Protein Cavities
  ☆29Updated 2 years ago
• openkinome / kinodata
  Collection of scripts / notebooks to reliably select datasets
  ☆28Updated last year
• kimeguida / POEM
  Pocket-Oriented Elaboration of Molecules: application to CDK8 inhibition
  ☆14Updated 2 years ago
• JingHuangLab / EViS
  EViS: an Enhanced Virtual Screening Approach based on Pocket Ligand Similarity
  ☆14Updated 3 years ago
• hnlab / BindingNet
  ☆25Updated 11 months ago
• volkamerlab / kissim_app
  Kinome-wide structural pocket similarity
  ☆10Updated 2 years ago
• ninglab / DiffSMol
  ☆25Updated last week
• DrugAI / ACNet
  ☆15Updated 2 years ago
• pfizer-opensource / transform-molecules
  ☆17Updated 2 years ago
• keiserlab / autofragdiff
  Autoregressive fragment-based diffusion for target-aware ligand design
  ☆29Updated last year
• biomed-AI / DRlinker
  ☆24Updated 2 years ago
• aivant / ShapeLinker
  ☆23Updated last year
• fimrie / DEVELOP
  ☆14Updated 3 years ago
• luoyunan / KDBNet
  Kinase–drug binding prediction with calibrated uncertainty quantification
  ☆23Updated last year
• zjujdj / IGN
  InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…
  ☆30Updated 3 years ago
• molinfo-vienna / apo2ph4
  A versatile workflow for the generation of receptor-based pharmacophore models for virtual screening
  ☆25Updated 2 weeks ago
• MolecularAI / DockStreamCommunity
  ☆26Updated 2 years ago
• Jonas-Verhellen / MolecularGraphPareto
  ☆14Updated last year
• coleygroup / shepherd-score
  Interaction profile extraction, scoring, alignment and evaluation of ShEPhERD. [ICLR 2025]
  ☆22Updated this week
• j9650 / MedusaGraph
  ☆28Updated 2 years ago
• deep-scaffold / deep_scaffold
  ☆25Updated 5 years ago
• oxpig / DEVELOP
  ☆56Updated last year
• cbouy / ProLIF
  Protein-Ligand Interaction Fingerprints
  ☆20Updated 4 years ago
• LBC-LNBio / parKVFinder
  parKVFinder: thread-level parallel KVFinder
  ☆14Updated 3 weeks ago
• iipharma / transpharmer-repo
  ☆35Updated 2 months ago