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globus-labs / faster-molecular-hessians
97%
main: 97%

Build:
Build:
LAST BUILD BRANCH: aurora
DEFAULT BRANCH: main
Repo Added 30 Aug 2023 11:41AM UTC
Files 20
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  • per-element
  • add-colmena
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29 Dec 2023 04:31PM UTC coverage: 97.414% (+0.7%) from 96.675%
7358247014

Pull #39

github

WardLT
Add lengthscale as option, remove HPO from notebook
Pull Request #39: Use per-element ML models for local descriptors

791 of 812 relevant lines covered (97.41%)

0.97 hits per line

Relevant lines Covered
Build:
Build:
812 RELEVANT LINES 791 COVERED LINES
0.97 HITS PER LINE
Source Files on per-element
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  • List 20
  • Changed 4
  • Source Changed 0
  • Coverage Changed 4
Coverage ∆ File Lines Relevant Covered Missed Hits/Line

Recent builds

Builds Branch Commit Type Ran Committer Via Coverage
7358247014 per-element Add lengthscale as option, remove HPO from notebook Pull #39 29 Dec 2023 04:38PM UTC WardLT github
97.41
7358247070 per-element Merge a4bf93885 into 0033eb944 Pull #39 29 Dec 2023 04:38PM UTC web-flow github
96.63
7340774498 per-element Bug fix: Only scale forces one I scaled the energy, so I don't need to scale the derivatives of energy wrt descriptors Pull #39 27 Dec 2023 06:11PM UTC WardLT github
97.41
7331450167 per-element Use per-atom scaling in train, add patience to training Pull #39 26 Dec 2023 05:36PM UTC WardLT github
97.37
7323724504 per-element Scale scaling constants by number of atoms push 25 Dec 2023 06:55PM UTC WardLT github
97.58
7323545288 per-element Ensuring matrices are on same devices push 25 Dec 2023 06:18PM UTC WardLT github
97.58
7323474622 per-element Implement a per-element version of SOAP push 25 Dec 2023 06:07PM UTC WardLT github
97.58
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