/SparseChem-Master

Clone of melloddy/SparseChem - will sync with upstream as needed

Primary LanguagePythonMIT LicenseMIT

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.