Alternatives and similar repositories for OPERA:

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

• IanAWatson / Lilly-Medchem-Rules
  Implementation of Lilly Medchem Rules - J Med Chem 2012
  ☆86Updated this week
• kmansouri / OPERA
  Free and open-source application (command line and GUI) providing QSAR models predictions as well as applicability domain and accuracy as…
  ☆97Updated 5 months ago
• CDDLeiden / QSPRpred
  A tool for creating Quantitative Structure Property/Activity Relationship (QSPR/QSAR) models.
  ☆63Updated last week
• Valdes-Tresanco-MS / AMDock-win
  (Windows) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina
  ☆63Updated 2 years ago
• PatWalters / chem_tutorial
  ☆91Updated 3 years ago
• hesther / espsim
  Scoring of shape and ESP similarity with RDKit
  ☆212Updated last week
• DrrDom / pmapper
  3D pharmacophore signatures and fingerprints
  ☆102Updated 2 months ago
• ifyoungnet / ADMETlab
  A platform for systematic ADME evaluation of drug molecules, thereby accelerating the drug discovery process.
  ☆63Updated 9 months ago
• czodrowskilab / Machine-learning-meets-pKa
  ☆73Updated last year
• dkoes / qsar-tools
  Scripts for assisting in modeling quantitative structure activity relationships from 2D chemical data
  ☆62Updated 3 years ago
• mcsorkun / ChemPlot
  A python package for chemical space visualization.
  ☆139Updated 3 months ago
• MolecularAI / QSARtuna
  QSARtuna: QSAR model building with the optuna framework
  ☆115Updated 5 months ago
• chembl / ChEMBL_Structure_Pipeline
  ChEMBL database structure pipelines
  ☆198Updated 6 months ago
• EliLillyCo / LillyMol
  LillyMol Public Code
  ☆101Updated 7 months ago
• greglandrum / RSC_OpenScience_Standardization_202104
  Materials for my presentation on molecular standardization as part of the RSC OpenScience workshop series
  ☆47Updated 3 years ago
• Novartis / pQSAR
  Massively multitask stacked model for predicting activity of thousands of biological assays
  ☆34Updated 3 years ago
• PatWalters / useful_rdkit_utils
  Some useful RDKit functions
  ☆156Updated 2 weeks ago
• joofio / py4chemoinformatics
  Python for chemoinformatics
  ☆110Updated 4 years ago
• pnnl / isicle
  In silico chemical library engine for high-accuracy chemical property prediction
  ☆59Updated last month
• PatWalters / rd_filters
  A script to run structural alerts using the RDKit and ChEMBL
  ☆137Updated last year
• Xundrug / MolGpKa
  The graph-convolutional neural network for pka prediction
  ☆76Updated last year
• thsa / datawarrior
  Interactive data analysis and visualisation with chemical intelligence
  ☆110Updated last week
• cimm-kzn / 3D-MIL-QSAR
  Ligand bioactivity prediction
  ☆55Updated 8 months ago
• XinhaoLi74 / Hierarchical-QSAR-Modeling
  ☆31Updated 5 years ago
• HoffOskar / ML_From_Scratch
  Creating machine learning algorithms from scratch
  ☆18Updated 2 weeks ago
• flatkinson / standardiser
  Molecular standardisation tool
  ☆77Updated 4 years ago
• MolecularAI / DockStream
  DockStream: A Docking Wrapper to Enhance De Novo Molecular Design
  ☆116Updated 2 years ago
• PatWalters / TS
  Thompson Sampling
  ☆66Updated 3 months ago
• suneelbvs / rdkit_tutorials
  rdKit basics (provided jupyter notebooks are custom curated and will help the users to start working on rdKit)
  ☆30Updated 2 years ago
• Merck / matcher
  Matcher is a tool for understanding how chemical structure optimization problems have been solved. Matcher enables deep control over sear…
  ☆59Updated last year