Alternatives and similar repositories for OPERA

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

• kmansouri / OPERA
  Free and open-source application (command line and GUI) providing QSAR models predictions as well as applicability domain and accuracy as…
  ☆111Updated 3 months ago
• IanAWatson / Lilly-Medchem-Rules
  Implementation of Lilly Medchem Rules - J Med Chem 2012
  ☆94Updated this week
• CDDLeiden / QSPRpred
  A tool for creating Quantitative Structure Property/Activity Relationship (QSPR/QSAR) models.
  ☆74Updated last week
• thsa / datawarrior
  Interactive data analysis and visualisation with chemical intelligence
  ☆130Updated 2 weeks ago
• PatWalters / chem_tutorial
  ☆91Updated 3 years ago
• czodrowskilab / Machine-learning-meets-pKa
  ☆76Updated 2 years ago
• DrrDom / pmapper
  3D pharmacophore signatures and fingerprints
  ☆108Updated 5 months ago
• flatkinson / standardiser
  Molecular standardisation tool
  ☆77Updated 5 years ago
• EliLillyCo / LillyMol
  LillyMol Public Code
  ☆117Updated 2 months ago
• Laboratoire-de-Chemoinformatique / Synt-On
  Open-source tool for synthons-based library design.
  ☆82Updated 9 months ago
• joofio / py4chemoinformatics
  Python for chemoinformatics
  ☆112Updated 4 years ago
• dkoes / qsar-tools
  Scripts for assisting in modeling quantitative structure activity relationships from 2D chemical data
  ☆61Updated 3 years ago
• Valdes-Tresanco-MS / AMDock-win
  (Windows) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina
  ☆67Updated 3 years ago
• ifyoungnet / ADMETlab
  A platform for systematic ADME evaluation of drug molecules, thereby accelerating the drug discovery process.
  ☆75Updated last year
• duerrsimon / substrate-scope-plot
  ☆55Updated 5 months ago
• MolecularAI / QSARtuna
  QSARtuna: QSAR model building with the optuna framework
  ☆140Updated last year
• pnnl / isicle
  In silico chemical library engine for high-accuracy chemical property prediction
  ☆62Updated 5 months ago
• PatWalters / solubility
  An implementation of Delaney's ESOL method using the RDKit
  ☆60Updated 7 years ago
• Xundrug / MolGpKa
  The graph-convolutional neural network for pka prediction
  ☆89Updated last year
• JacksonBurns / mordred-community
  Community-Maintained Version of mordred
  ☆87Updated last week
• mcsorkun / ChemPlot
  A python package for chemical space visualization.
  ☆149Updated 10 months ago
• Aouidate / Chemoinformatics-tutos
  Compilation of chemoinformatics and machine learning techniques
  ☆59Updated 3 months ago
• Novartis / pQSAR
  Massively multitask stacked model for predicting activity of thousands of biological assays
  ☆34Updated 4 years ago
• AstraZeneca / jazzy
  Fast calculation of hydrogen-bond strengths and free energy of hydration of small molecules.
  ☆87Updated last week
• openochem / openochem
  ☆19Updated 2 months ago
• AstexUK / ESP_DNN
  A Graph-Convolutional Deep Neural Network for predicting electrostatic potential surfaces
  ☆92Updated 2 years ago
• dptech-corp / Uni-pKa
  The official repository of Uni-pKa
  ☆82Updated 6 months ago
• hcji / PyFingerprint
  Python tool for generate fingerprints of a molecule
  ☆84Updated 4 months ago
• Merck / matcher
  Matcher is a tool for understanding how chemical structure optimization problems have been solved. Matcher enables deep control over sear…
  ☆63Updated last year
• molecularinformatics / roshambo
  ☆89Updated last year