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
  • Other modules

Misc

  • Abbreviations
  • Versions
  • License
  • Help?
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© Copyright 2023, Juan V. Alegre Requena, David Dalmau Ginesta.

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