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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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LAST BUILD ON BRANCH aurora
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  • add-colmena
  • add_ci
  • add_jacobian
  • add_mbtr
  • add_mopac
  • approx
  • aurora
  • baseline-sampling
  • big-test
  • clear-nbs
  • deploy-hpc
  • exachem
  • internal-coord
  • main
  • mvn-hessian
  • notebook_refactor
  • papermill
  • per-element
  • scale-vibrations
  • separate-geom
  • simple-uniform
  • soap_gpy
  • theta
  • uhf
  • vibrations

03 Jan 2024 04:51PM UTC coverage: 96.675%. Remained the same
7400068738

push

github

WardLT
Add configuration which runs >1 ExaChem at a time

756 of 782 relevant lines covered (96.68%)

0.97 hits per line

Relevant lines Covered
Build:
Build:
782 RELEVANT LINES 756 COVERED LINES
0.97 HITS PER LINE
Source Files on main
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  • List 20
  • Changed 0
  • Source Changed 0
  • Coverage Changed 0
Coverage ∆ File Lines Relevant Covered Missed Hits/Line

Recent builds

Builds Branch Commit Type Ran Committer Via Coverage
7400068738 aurora Add configuration which runs >1 ExaChem at a time push 03 Jan 2024 04:58PM UTC WardLT github
96.68
7372649128 main Use per-element ML models for local descriptors (#39) * Implement a per-element version of SOAP * Ensuring matrices are on same devices * Scale scaling constants by number of atoms * Use per-atom scaling in train, add patience to trainin... push 31 Dec 2023 08:52PM UTC web-flow github
96.63
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
7322217565 aurora Add debug configuration for aurora push 25 Dec 2023 01:51PM UTC WardLT github
96.68
See All Builds (154)
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