robert

Installation and interface

  • Installation
  • Users with no Python experience
  • Graphical User Interface (GUI): easyROB

How does ROBERT work?

  • How to create a database
  • Data curation
  • Screening of ML models
  • New predictions and feature analysis
  • Predictive ability tests
  • From SMILES to predictors

ROBERT PDF report

  • ROBERT score
  • Reproducibility and Transparency

Examples

  • Full workflow from CSV
  • New predictions
  • Full workflow from SMILES
  • SMILES workflow with atomic properties
  • Use of individual modules

Video Tutorials

  • Video Tutorials

Technical Details

  • Default parameters
  • Requirements
  • Running the tests
  • Development

API Reference

  • Main modules
    • AQME
    • CURATE
    • GENERATE
    • PREDICT
    • VERIFY
    • REPORT
  • Other modules
    • GENERATE_utils
    • PREDICT_utils
    • utils

Misc

  • Abbreviations
  • Versions
  • License
  • Help?
robert
  • Main modules
  • View page source

Main modules

  • AQME
  • CURATE
  • GENERATE
  • PREDICT
  • VERIFY
  • REPORT

Other modules

  • GENERATE_utils
  • PREDICT_utils
  • utils
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© Copyright 2023, Juan V. Alegre Requena, David Dalmau Ginesta.

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