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
• kimeguida / ProCare
  ProCare: A Point Cloud Registration Approach to Align Protein Cavities
  ☆30Updated 2 years ago
• oxpig / DEVELOP
  ☆55Updated last year
• molML / traversing_chem_space
  ☆25Updated 11 months ago
• maxime-langevin / scaffold-constrained-generation
  ☆37Updated 4 years ago
• openkinome / kinodata
  Collection of scripts / notebooks to reliably select datasets
  ☆28Updated last year
• molecularmodelinglab / bigbind
  The BigBind protein-ligand binding dataset (and BayesBind benchmark)
  ☆19Updated 8 months ago
• keiserlab / autofragdiff
  Autoregressive fragment-based diffusion for target-aware ligand design
  ☆29Updated last year
• tiantz17 / CARA
  Benchmarking compound activity prediction for real-world drug discovery applications
  ☆14Updated last year
• biomed-AI / DiffDec
  ☆36Updated last year
• hnlab / BindingNet
  ☆26Updated last year
• molinfo-vienna / apo2ph4
  A versatile workflow for the generation of receptor-based pharmacophore models for virtual screening
  ☆29Updated 2 months ago
• JingHuangLab / EViS
  EViS: an Enhanced Virtual Screening Approach based on Pocket Ligand Similarity
  ☆14Updated 3 years ago
• mahendra-awale / medchem_moves
  ☆46Updated 4 years ago
• MolecularAI / DockStreamCommunity
  ☆26Updated 2 years ago
• j9650 / MedusaGraph
  ☆28Updated 2 years ago
• biomed-AI / DRlinker
  ☆25Updated 2 years ago
• MolecularAI / Lib-INVENT-dataset
  ☆20Updated 2 years ago
• pfizer-opensource / transform-molecules
  ☆17Updated 2 years ago
• oxpig / PointVS
  SE(3)-equivariant point cloud networks for virtual screening
  ☆11Updated 2 years ago
• chembl / compound_target_pairs_dataset
  Automatic extraction of interacting compound-target pairs from ChEMBL.
  ☆17Updated 2 months ago
• LindeSchoenmaker / SMILES-corrector
  ☆28Updated last year
• RekerLab / DeepDelta
  DeepDelta is a pairwise deep learning approach based on Chemprop that processes two molecules simultaneously and learns to predict proper…
  ☆47Updated last year
• aivant / ShapeLinker
  ☆23Updated last year
• volkamerlab / kissim
  Subpocket-based fingerprint for kinase pocket comparison
  ☆34Updated last year
• zjujdj / MetalProGNet
  ☆12Updated last year
• jacquesboitreaud / OptiMol
  Optimization of binding affinities in chemical space for drug discovery
  ☆35Updated 2 years ago
• ohuelab / QEPPI
  Quantitative Estimate Index for Early-Stage Screening of Compounds Targeting Protein-Protein Interactions
  ☆18Updated last year
• DrugAI / ACNet
  ☆16Updated 3 years ago
• compsciencelab / PromptSMILES
  Scaffold decoration and fragment linking with chemical language models and RL
  ☆26Updated 4 months ago