lhm30 / PIDGINv3

Related projects ⓘ

Alternatives and complementary repositories for PIDGINv3

• ifyoungnet / ADMETlab
  A platform for systematic ADME evaluation of drug molecules, thereby accelerating the drug discovery process.
  ☆60Updated 5 months ago
• lhm30 / PIDGINv2
  PIDGIN Version 2: Prediction IncluDinG INactivity: Version 2 (LEGACY VERSION)
  ☆30Updated 5 years ago
• iwatobipen / py4chemoinformatics
  Python for chemoinformatics
  ☆50Updated 5 years ago
• prcurran / hotspots
  A knowledge-based method for determining small molecule binding "hotspots".
  ☆35Updated 6 months ago
• Vfold-RNA / RLDOCK
  ☆30Updated 7 months ago
• volkamerlab / KinFragLib
  Kinase-focused fragment library
  ☆64Updated last week
• ci-lab-cz / pharmd
  MD pharmacophores and virtual screening
  ☆32Updated 11 months ago
• openkinome / kinodata
  Collection of scripts / notebooks to reliably select datasets
  ☆27Updated 9 months ago
• coleygroup / del_qsar
  ☆30Updated 2 years ago
• IanAWatson / Lilly-Medchem-Rules
  Implementation of Lilly Medchem Rules - J Med Chem 2012
  ☆84Updated last month
• czodrowskilab / VSFlow
  ☆85Updated last year
• DrrDom / pmapper
  3D pharmacophore signatures and fingerprints
  ☆102Updated 6 months ago
• oddt / rfscorevs_binary
  RF-Score-VS binary
  ☆30Updated 6 years ago
• kotori-y / pySmash
  Smash molecule and obtain significant fragments
  ☆17Updated 3 years ago
• smu-tao-group / ADMET_XGBoost
  Accurate ADMET Prediction with XGBoost
  ☆32Updated last year
• fimrie / DeepCoy
  ☆23Updated 9 months ago
• mayrf / pkasolver
  toolkit for prediction pKa values of small molecules via graph convolutional networks
  ☆51Updated last year
• Coughy1991 / Reaction_condition_recommendation
  Code for training machine learning model for reaction condition prediction
  ☆37Updated 4 years ago
• PatWalters / TS
  Thompson Sampling
  ☆55Updated last week
• meddwl / psearch
  3D ligand-based pharmacophore modeling
  ☆46Updated last year
• Xundrug / MolGpKa
  The graph-convolutional neural network for pka prediction
  ☆66Updated 10 months ago
• cimm-kzn / 3D-MIL-QSAR
  Multi-instance ML for ligand bioactivity prediction
  ☆54Updated 3 months ago
• czodrowskilab / Machine-learning-meets-pKa
  ☆71Updated last year
• MolecularAI / DockStream
  DockStream: A Docking Wrapper to Enhance De Novo Molecular Design
  ☆108Updated last year
• oddt / rfscorevs
  RF-Score-VS - Random forest based protein-ligand scoring function for Virtual Screening
  ☆48Updated 5 years ago
• Laboratoire-de-Chemoinformatique / Synt-On
  Open-source tool for synthons-based library design.
  ☆69Updated last year
• MolecularAI / Lib-INVENT
  ☆56Updated last year
• DIFACQUIM / ECIF
  Extended Connectivity Interaction Features
  ☆30Updated 3 years ago
• wzxxxx / MGA
  MGA
  ☆42Updated 3 years ago
• jacquesboitreaud / OptiMol
  Optimization of binding affinities in chemical space for drug discovery
  ☆36Updated last year