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openadmet_models

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OpenADMET implementations of machine learning architectures used in the OpenADMET project within a consistent framework.

Also contains a set of workflows called Anvil (inspired by conda forge) used to produce models from human readable model recipe specifications

Getting started

See the documentation here: https://openadmet-models.readthedocs.io/en/latest/

Copyright

Copyright (c) 2025, OpenADMET Models Contributors

Acknowledgements

Project based on the Computational Molecular Science Python Cookiecutter version 1.10.

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Machine learning architectures for the OpenADMET project

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