Alternatives and similar repositories for OPERA:

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

• pnnl / isicle
  In silico chemical library engine for high-accuracy chemical property prediction
  ☆59Updated last month
• NIEHS / OPERA
  Free and open-source application (command line and GUI) providing QSAR models predictions as well as applicability domain and accuracy as…
  ☆74Updated 5 months ago
• Valdes-Tresanco-MS / AMDock-win
  (Windows) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina
  ☆63Updated 2 years ago
• volkamerlab / opencadd
  A Python library for structural cheminformatics
  ☆95Updated 2 weeks ago
• DrrDom / pmapper
  3D pharmacophore signatures and fingerprints
  ☆102Updated 2 months ago
• dkoes / qsar-tools
  Scripts for assisting in modeling quantitative structure activity relationships from 2D chemical data
  ☆62Updated 3 years ago
• IanAWatson / Lilly-Medchem-Rules
  Implementation of Lilly Medchem Rules - J Med Chem 2012
  ☆86Updated this week
• wlsong / PyLipID
  A python toolkit for analysing membrane protein-lipid interactions.
  ☆63Updated last year
• Aouidate / Chemoinformatics-tutos
  Compilation of chemoinformatics and machine learning techniques
  ☆57Updated last year
• joofio / py4chemoinformatics
  Python for chemoinformatics
  ☆110Updated 4 years ago
• PatWalters / chem_tutorial
  ☆91Updated 3 years ago
• tdudgeon / simple-simulate-complex
  Simple protein-ligand complex simulation with OpenMM
  ☆82Updated last year
• paiardin / DockingPie
  A Consensus Docking Plugin for PyMOL
  ☆69Updated 9 months ago
• thsa / datawarrior
  Interactive data analysis and visualisation with chemical intelligence
  ☆110Updated 2 weeks ago
• whitead / molcloud
  Make a bunch of molecules
  ☆95Updated 4 months ago
• MolecularAI / QSARtuna
  QSARtuna: QSAR model building with the optuna framework
  ☆115Updated 5 months ago
• BTheDragonMaster / pikachu
  Python-based Informatics Kit for Analysing Chemical Units
  ☆70Updated 9 months ago
• reymond-group / map4
  The MinHashed Atom Pair fingerprint of radius 2
  ☆113Updated last year
• matteoferla / Fragmenstein
  Merging, linking and placing compounds by stitching bound compounds together like a reanimated corpse
  ☆186Updated 2 months ago
• Valdes-Tresanco-MS / AMDock
  (Linux and macOS) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina
  ☆67Updated last year
• greglandrum / RSC_OpenScience_Standardization_202104
  Materials for my presentation on molecular standardization as part of the RSC OpenScience workshop series
  ☆47Updated 3 years ago
• rdkit / UGM_2020
  Materials from the (virtual) 2020 RDKit UGM
  ☆52Updated 4 years ago
• DrrDom / rdkit-scripts
  rdkit scripts making life easier
  ☆67Updated 2 months ago
• MolecularAI / DockStream
  DockStream: A Docking Wrapper to Enhance De Novo Molecular Design
  ☆116Updated 2 years ago
• tubiana / protocolGromacs
  Automatic gromacs protocol from preparation to production with ligand parametrization through
  ☆65Updated 5 months ago
• intbio / gromacs_ff
  Trusted force field files for gromacs
  ☆46Updated 5 months ago
• wolberlab / OpenMMDL
  Interface to OpenMM for easy setup of molecular dynamic simulations of protein-ligand complexes
  ☆121Updated 3 weeks ago
• pnnl / darkchem
  ☆32Updated 3 months ago
• ifyoungnet / ADMETlab
  A platform for systematic ADME evaluation of drug molecules, thereby accelerating the drug discovery process.
  ☆63Updated 9 months ago
• Novartis / pQSAR
  Massively multitask stacked model for predicting activity of thousands of biological assays
  ☆34Updated 3 years ago