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Open Principal Odor Map - beta

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@ARY2260 ARY2260 released this 21 Aug 01:55
· 11 commits to main since this release

This is first pre-release of openPOM library.
The release includes:

  • Graph featurization class
  • MPNN-POM model class and required layer classes
  • Notebooks for Leffingwell and Goodscents dataset curation
  • Example notebooks for model training and fine-tuning
  • Benchmark notebooks with ensemble scripts

The library is also released at pypi: https://pypi.org/project/openpom/