openkinome / kinoml

Structure-informed machine learning for kinase modeling
https://openkinome.org/kinoml/
MIT License
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KLIFS conformations featurizer #112

Closed schallerdavid closed 2 years ago

schallerdavid commented 2 years ago

Description

This PR adds a featurizer finding PDB entries for different KLIFS conformations based on ligand and sequence similarity.

Todos

Status

review-notebook-app[bot] commented 2 years ago

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codecov-commenter commented 2 years ago

Codecov Report

Merging #112 (068a995) into master (8a91645) will decrease coverage by 1.66%. The diff coverage is 3.65%.