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Releases: ARY2260/openpom

v1 Release with Trained Models

17 Oct 14:24
d6fecae

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Add image to Odor Prediction Demo in README

Added an image to the Odor Prediction Demo section.

Open Principal Odor Map - beta

21 Aug 01:55

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Pre-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/