openkinome / kinoml

Structure-informed machine learning for kinase modeling

https://openkinome.org/kinoml/

MIT License

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Closed schallerdavid closed 2 years ago

schallerdavid commented 2 years ago

Description

This PR explores possibilities to implement structural featurizers using Schrodinger tools instead of the OpenEye toolkits.

codecov-commenter commented 2 years ago

Merging #106 (14eecce) into master (ba52381) will decrease coverage by 5.82%. The diff coverage is 27.16%.

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