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samplchallenges / SAMPL6

Challenge inputs, details, and results for the SAMPL6 series of challenges
https://samplchallenges.github.io
MIT License
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Add dry smirnoff condition #83

Closed bergazin closed 5 years ago

bergazin commented 5 years ago

Here I added the files for the dry smirnoff condition (REF07) and regenerated the plots. I made sure to include this condition in logP_analysis.py so that it's separated away from the actual submissions.

bergazin commented 5 years ago

Actually, I added one too many files. Have to remove them first.

bergazin commented 5 years ago

Ok, got it. Should be fine now.

bergazin commented 5 years ago

I'll have to regenerate the plots after the Kendall’s Tau calculation addition gets merged. Closing this for now.