Alternatives and similar repositories for pf-gnn_pli:

Users that are interested in pf-gnn_pli are comparing it to the libraries listed below

• Vfold-RNA / RLDOCK
  ☆32Updated 11 months ago
• oxpig / MolSnapper
  ☆23Updated 4 months ago
• jacquesboitreaud / OptiMol
  Optimization of binding affinities in chemical space for drug discovery
  ☆36Updated 2 years ago
• openkinome / kinodata
  Collection of scripts / notebooks to reliably select datasets
  ☆28Updated last year
• jaimergp / autodocktools-prepare-py3k
  Python 3 fork for the preparation scripts contained in AutoDockTools
  ☆20Updated 3 years ago
• j9650 / MedusaGraph
  ☆28Updated 2 years ago
• hnlab / can-ai-do
  Predicting or pretending: artificial intelligence for protein-ligand interactions lack of sufficiently large and unbiased datasets
  ☆12Updated 4 years ago
• biomed-AI / DRlinker
  ☆23Updated 2 years ago
• YanjunLi-CS / dyscore
  Open source code for DyScore
  ☆20Updated 2 years ago
• stemylonas / DeepSurf
  A surface-based deep learning approach for the prediction of ligand binding sites on proteins
  ☆40Updated last year
• bigginlab / aescore
  Learning Protein-Ligand Properties with Atomic Environment Vectors
  ☆10Updated 11 months ago
• bigginlab / WaterDock-2.0
  WaterDock-2.0 implementation with Akshay Sridhar
  ☆15Updated last year
• oxpig / DEVELOP
  ☆56Updated last year
• gnina / scripts
  ☆26Updated last year
• zchwang / OnionNet-2
  OnionNet-2 is constructed based on convolutional neural network (CNN) to predict the protein-ligand binding affinity.
  ☆16Updated last year
• ohuelab / QEPPI
  Quantitative Estimate Index for Early-Stage Screening of Compounds Targeting Protein-Protein Interactions
  ☆18Updated last year
• giovanni-bolcato / deepFMPOv3D
  Implementation of Shape and Electrostatic similarity metric in deepFMPO.
  ☆43Updated 3 years ago
• zchwang / DeepRMSD-Vina_Optimization
  DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.
  ☆41Updated last year
• TuomoKalliokoski / HASTEN
  Machine Learning Boosted Docking (HASTEN): Accelerate Structure-based Virtual Screening
  ☆37Updated last year
• molecularmodelinglab / plantain
  Fast and accurate molecular docking with an AI pose scoring function
  ☆37Updated last year
• rochoa85 / dockECR
  dockECR: open consensus docking and ranking protocol for virtual screening of small molecules
  ☆25Updated 3 years ago
• MolecularAI / Lib-INVENT-dataset
  ☆19Updated 2 years ago
• MolecularAI / Lib-INVENT
  ☆56Updated 2 years ago
• hnlab / BindingNet
  ☆23Updated 8 months ago
• deep-scaffold / deep_scaffold
  ☆25Updated 5 years ago
• NiBoyang / AutoDock-SS
  Use AutoDock for Ligand-based Virtual Screening
  ☆20Updated 7 months ago
• mindrank-ai / PharmaBench
  ☆33Updated 11 months ago
• rxn4chemistry / rxnaamapper
  Reaction SMILES-AA mapping via language modelling
  ☆29Updated 6 months ago
• molML / traversing_chem_space
  ☆22Updated 7 months ago
• czodrowskilab / VSFlow
  ☆85Updated last month