Parsing-Conformational-Families-OMOLAB

Release 0.0.1

Uses PCA and K-means clustering to separate conformational ensembles. (xyz-files only)

Homepage PyPI

Licenses
AFL-3.0/ECL-2.0/AFL-3.0/O-UDA-1.0/AFL-3.0/NCGL-UK-2.0/MIT
Install
pip install Parsing-Conformational-Families-OMOLAB==0.0.1

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Total releases
1
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4

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Releases

0.0.1

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