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Description:

Oloren ChemEngine is a library for molecular property prediction, uncertainty quantification and interpretability. It includes 50+ models and molecular representations under a unified API, which achieves state-of-the-art performances on a variety of molecular property prediction tasks. The diversity of models and representations is achieved by integrating all top-performing methods in the literature as well an in-house methods.

Homepage:

https://github.com/Oloren-AI/olorenchemengine

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Metadata

Maintainers

• Markus Walter (gentoo@houseofsuns.org) - Type: person

<pkgmetadata>
	<maintainer type="person">
		<email>gentoo@houseofsuns.org</email>
		<name>Markus Walter</name>
	</maintainer>
</pkgmetadata>

Lint Warnings

• [Warning] Ebuild 1.0.14 uses IUSE flag 'full' which is not documented in metadata.xml. Add the flag to metadata.xml <use> section.
• [Warning] Ebuild 1.0.14 uses IUSE flag 'testing' which is not documented in metadata.xml. Add the flag to metadata.xml <use> section.
• [Warning] Missing md5-cache for version 1.0.14. Run 'ebuild <ebuild_file> manifest' or 'egencache' to generate it.

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Manifest