Alternatives and similar repositories for OPERA:

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

• NIEHS / OPERA
  Free and open-source application (command line and GUI) providing QSAR models predictions as well as applicability domain and accuracy as…
  ☆74Updated 3 months ago
• pnnl / isicle
  In silico chemical library engine for high-accuracy chemical property prediction
  ☆58Updated last week
• Valdes-Tresanco-MS / AMDock-win
  (Windows) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina
  ☆62Updated 2 years ago
• wlsong / PyLipID
  A python toolkit for analysing membrane protein-lipid interactions.
  ☆63Updated last year
• hesther / espsim
  Scoring of shape and ESP similarity with RDKit
  ☆208Updated last year
• volkamerlab / opencadd
  A Python library for structural cheminformatics
  ☆93Updated 10 months ago
• IanAWatson / Lilly-Medchem-Rules
  Implementation of Lilly Medchem Rules - J Med Chem 2012
  ☆85Updated 3 months ago
• thsa / datawarrior
  Interactive data analysis and visualisation with chemical intelligence
  ☆104Updated this week
• reymond-group / map4
  The MinHashed Atom Pair fingerprint of radius 2
  ☆112Updated last year
• DrrDom / pmapper
  3D pharmacophore signatures and fingerprints
  ☆102Updated 2 weeks ago
• mcsorkun / ChemPlot
  A python package for chemical space visualization.
  ☆129Updated last month
• MolecularAI / QSARtuna
  QSARtuna: QSAR model building with the optuna framework
  ☆109Updated 2 months ago
• joofio / py4chemoinformatics
  Python for chemoinformatics
  ☆109Updated 3 years ago
• PatWalters / chem_tutorial
  ☆91Updated 2 years ago
• CDDLeiden / QSPRpred
  A tool for creating Quantitative Structure Property/Activity Relationship (QSPR/QSAR) models.
  ☆58Updated last month
• dkoes / qsar-tools
  Scripts for assisting in modeling quantitative structure activity relationships from 2D chemical data
  ☆57Updated 2 years ago
• Aouidate / Chemoinformatics-tutos
  Compilation of chemoinformatics and machine learning techniques
  ☆54Updated last year
• molecularinformatics / roshambo
  ☆70Updated 4 months ago
• cthoyt / chembl-downloader
  Write reproducible code for getting and processing ChEMBL
  ☆71Updated 11 months ago
• drorlab / pensa
  PENSA - a collection of python methods for exploratory analysis and comparison of biomolecular conformational ensembles.
  ☆128Updated this week
• MolecularAI / DockStream
  DockStream: A Docking Wrapper to Enhance De Novo Molecular Design
  ☆112Updated last year
• wolberlab / OpenMMDL
  Interface to OpenMM for easy setup of molecular dynamic simulations of protein-ligand complexes
  ☆73Updated last month
• tdudgeon / simple-simulate-complex
  Simple protein-ligand complex simulation with OpenMM
  ☆74Updated last year
• fhh2626 / BFEE2
  binding free energy estimator 2
  ☆109Updated last month
• czodrowskilab / VSFlow
  ☆85Updated last year
• paiardin / DockingPie
  A Consensus Docking Plugin for PyMOL
  ☆67Updated 7 months ago
• AstexUK / ESP_DNN
  A Graph-Convolutional Deep Neural Network for predicting electrostatic potential surfaces
  ☆87Updated last year
• RyanZR / labodock
  LABODOCK: A Colab-Based Molecular Docking Tools
  ☆43Updated 11 months ago
• Novartis / pQSAR
  Massively multitask stacked model for predicting activity of thousands of biological assays
  ☆32Updated 3 years ago
• luancarvalhomartins / PyAutoFEP
  PyAutoFEP: an automated FEP workflow for GROMACS integrating enhanced sampling methods
  ☆172Updated last year