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openforcefield / open-forcefield-data

Datasets for open forcefield parameterization and development
MIT License
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Interesting Mixtures #7

Closed bmanubay closed 8 years ago

bmanubay commented 8 years ago

Added Python code and generated csv for finding data point counts of interesting (not alkane-alkane) mixtures across all binary properties

davidlmobley commented 8 years ago

Looks like interesting mixtures indeed. Nice work. I had an outstanding PR open so I just merged it, so can you update one more time and then ping me again and we can merge?

Thanks.

On Wed, May 11, 2016 at 1:43 PM, bmanubay notifications@github.com wrote:

You can view, comment on, or merge this pull request online at:

https://github.com/open-forcefield-group/open-forcefield-data/pull/7 Commit Summary

  • Interesting mixtures
  • Merge remote-tracking branch 'upstream/master'
  • Interesting mixtures

File Changes

Patch Links:

- https://github.com/open-forcefield-group/open-forcefield-data/pull/7.patch

https://github.com/open-forcefield-group/open-forcefield-data/pull/7.diff

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David Mobley Associate Professor Department of Pharmaceutical Sciences Department of Chemistry 3134B Natural Sciences I University of California, Irvine Irvine, CA 92697 dmobley@uci.edu work (949) 824-6383 cell (949) 385-2436

davidlmobley commented 8 years ago

Sorry, by "update" I mean "git pull ..." to merge, then commit/push. This time the changes are orthogonal to yours so it should be a super easy merge.

bmanubay commented 8 years ago

Everything is ready to go @davidlmobley !

jchodera commented 8 years ago

Awesome!