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experiment loop #26

Merged
merged 2 commits into from
Jun 19, 2020
Merged

experiment loop #26

merged 2 commits into from
Jun 19, 2020

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yuanqing-wang
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@yuanqing-wang yuanqing-wang commented Jun 17, 2020

I've wrote a little experiment loop that pretty much ports from Pinot. https://github.com/choderalab/pinot/tree/master/pinot/app

@jchodera I love your 'loss function in dataset' idea and I've included in my datasets object. meanwhile I also feel like to have loss functions defined over graphs would just be a little bit more flexible:
https://github.com/choderalab/espaloma/blob/master/espaloma/metrics.py

let me know what do you think

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lgtm-com bot commented Jun 17, 2020

This pull request introduces 2 alerts when merging fcfb912 into 6ce8462 - view on LGTM.com

new alerts:

  • 1 for Module imports itself
  • 1 for Unused local variable

@maxentile
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Sounds good, will update from way "loss function in dataset" was attempted in #20

@yuanqing-wang yuanqing-wang merged commit fa54d71 into master Jun 19, 2020
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2 participants