openkinome / kinoml

Structure-informed machine learning for kinase modeling
https://openkinome.org/kinoml/
MIT License
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Fred docking #90

Closed schallerdavid closed 3 years ago

schallerdavid commented 3 years ago

Description

Implement Fred docking in Featurizer.

Todos

Other

Status

codecov-commenter commented 3 years ago

Codecov Report

Merging #90 (0de4650) into refactor_modeling_featurizers (bcaf843) will increase coverage by 2.64%. The diff coverage is 100.00%.