Issues: openmm/spice-dataset
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Explore various dataset generation strategies on simplified chemical space
#89
opened Dec 14, 2023 by
jchodera
Filename collisions on osx hfs+ filesystem
bug
Something isn't working
#52
opened Oct 26, 2022 by
jchodera
SPICE does not appear in the 'machine learning' collection on QCArchive
#49
opened Sep 30, 2022 by
leifjacobson
Add molecules that provide coverage of post-translational modifications of proteins
enhancement
New feature or request
#38
opened Jul 28, 2022 by
jchodera
More data to improve accuracy
enhancement
New feature or request
#35
opened Jul 22, 2022 by
peastman
Add a "How to cite" section to README?
documentation
Improvements or additions to documentation
#19
opened Apr 14, 2022 by
jchodera
ProTip!
Adding no:label will show everything without a label.