Fix bug where molecules were not sorted for some reason - Githubissues

Dlux804 / McQuade-Chem-ML

Development of easy to use and reproducible ML scripts for chemistry.

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Fix bug where molecules were not sorted for some reason #66

Closed andreshyer closed 4 years ago

andreshyer commented 4 years ago

features.py

Re-add logic to sort which molecules are in test/train/val sets