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Fast and accurate machine learning models for biochemical applications.

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kbardool/SparseChem

 
 

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Introduction

This package provide fast and accurate machine learning models for biochemical applications. Especially, we support very high-dimensional models with sparse inputs, e.g., millions of features and millions of compounds.

  • The general documentation can be found here.
  • Documentation about how to retrain a pretrained model can be found here.
  • Documentation about how to profile GPU memory usage and use mixed precision can be found here.
  • Documentation about how to use Catalogue Fusion can be found here.

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Fast and accurate machine learning models for biochemical applications.

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  • Jupyter Notebook 82.3%
  • Python 16.1%
  • Shell 1.6%