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/