Feat: add DOS net #3452
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Feat: add DOS net #3452
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Codecov ReportAttention: Patch coverage is
Additional details and impacted files@@ Coverage Diff @@
## devel #3452 +/- ##
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+ Coverage 77.35% 77.47% +0.11%
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Files 428 431 +3
Lines 36999 37134 +135
Branches 1620 1620
==========================================
+ Hits 28621 28769 +148
+ Misses 7510 7497 -13
Partials 868 868 ☔ View full report in Codecov by Sentry. |
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| from .dp_model import ( | ||
| DPModel, | ||
| ) |
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| from deepmd.pt.model.model.dos_model import ( | ||
| DOSModel, | ||
| ) |
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This is a follow-up PR on #3452 - [x] Add DOS loss - [x] Fix stat calculation - [x] Add UT on training - [x] Add e2e JIT test - [x] fix dp test data shape --------- Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com> Co-authored-by: anyangml <[email protected]>
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This PR provides DOS fitting net in Pytorch.
Future TODO: