Skip to content

Actions: chemle/emle-engine

Actions

All workflows

Actions

Loading...
Loading

Showing runs from all workflows
240 workflow runs
240 workflow runs

Filter by Event

Filter by Status

Filter by Branch

Filter by Actor

Add conditional ACE backend. Build and test #266: Commit 99a1ecc pushed by lohedges
December 13, 2024 16:34 4m 17s feature_backends
feature_backends
December 13, 2024 16:34 4m 17s
Make sure order of backends is reversible for delta learning. Build and test #265: Commit a5bf21b pushed by lohedges
December 13, 2024 15:37 3m 56s feature_backends
feature_backends
December 13, 2024 15:37 3m 56s
Make sure order of backends is reversible for delta learning. Build and test #264: Commit d43edd6 pushed by lohedges
December 13, 2024 15:31 4m 13s feature_backends
feature_backends
December 13, 2024 15:31 4m 13s
Add delta-learning test. Build and test #263: Commit a304697 pushed by lohedges
December 13, 2024 13:13 3m 51s feature_backends
feature_backends
December 13, 2024 13:13 3m 51s
Rascal test is now working locally. Build and test #262: Commit d634aca pushed by lohedges
December 11, 2024 16:43 3m 45s feature_backends
feature_backends
December 11, 2024 16:43 3m 45s
Allow arbitrary delta-learning backend. Build and test #261: Commit 54fc727 pushed by lohedges
December 11, 2024 16:39 3m 42s feature_backends
feature_backends
December 11, 2024 16:39 3m 42s
Merge remote-tracking branch 'jmorado/feature_batch_predictions' into… Build and test #260: Commit cc7e340 pushed by lohedges
December 11, 2024 11:08 4m 1s feature_backends
feature_backends
December 11, 2024 11:08 4m 1s
Pass empty tensors for MM charges and positions. Build and test #259: Commit 062c2c2 pushed by lohedges
December 11, 2024 10:15 3m 51s feature_backends
feature_backends
December 11, 2024 10:15 3m 51s
Update the analyzer to use the Torch modules. Build and test #258: Commit db76f82 pushed by lohedges
December 11, 2024 10:11 3m 44s feature_backends
feature_backends
December 11, 2024 10:11 3m 44s
Handle non-batched inputs in backend calculate methods. Build and test #257: Commit 0e473c0 pushed by lohedges
December 11, 2024 09:18 3m 37s feature_backends
feature_backends
December 11, 2024 09:18 3m 37s
Add workaround for MACE/MACE-OFF version self-consistency issue. Build and test #256: Commit b16801f pushed by lohedges
December 10, 2024 11:07 18s feature_backends
feature_backends
December 10, 2024 11:07 18s
Add workaround for MACE/MACE-OFF version self-consistency issue. Build and test #255: Commit 9dab879 pushed by lohedges
December 10, 2024 10:49 3m 42s feature_backends
feature_backends
December 10, 2024 10:49 3m 42s
Pin mace-torch so that it is compatible with mace-off models. Build and test #254: Commit 7c37d11 pushed by lohedges
December 10, 2024 09:16 3m 34s feature_backends
feature_backends
December 10, 2024 09:16 3m 34s
Refactor into backend classes and allow batched inputs. Build and test #253: Commit 39d7c53 pushed by lohedges
December 9, 2024 16:45 3m 39s feature_backends
feature_backends
December 9, 2024 16:45 3m 39s
Refactor in-vacuo backends into a sub-package. Build and test #252: Commit 4112be1 pushed by lohedges
November 29, 2024 15:14 3m 30s feature_backends
feature_backends
November 29, 2024 15:14 3m 30s
Place atomic numbers on same device. Build and test #251: Commit 10e90d6 pushed by lohedges
November 29, 2024 09:04 3m 41s main
main
November 29, 2024 09:04 3m 41s
Batch forward method of the EMLE class Build and test #250: Pull request #39 synchronize by JMorado
November 27, 2024 18:05 3m 52s JMorado:feature_batch_predictions
JMorado:feature_batch_predictions
November 27, 2024 18:05 3m 52s
Batch forward method of the EMLE class Build and test #249: Pull request #39 synchronize by JMorado
November 27, 2024 18:03 3m 43s JMorado:feature_batch_predictions
JMorado:feature_batch_predictions
November 27, 2024 18:03 3m 43s
Batch forward method of the EMLE class Build and test #248: Pull request #39 synchronize by JMorado
November 26, 2024 15:52 3m 34s JMorado:feature_batch_predictions
JMorado:feature_batch_predictions
November 26, 2024 15:52 3m 34s
Batch forward method of the EMLE class Build and test #247: Pull request #39 synchronize by JMorado
November 25, 2024 18:22 14s JMorado:feature_batch_predictions
JMorado:feature_batch_predictions
November 25, 2024 18:22 14s
Batch forward method of the EMLE class Build and test #246: Pull request #39 opened by JMorado
November 25, 2024 18:19 3m 45s JMorado:feature_batch_predictions
JMorado:feature_batch_predictions
November 25, 2024 18:19 3m 45s
Merge pull request #38 from chemle/fix_total_charge Build and test #245: Commit 1268c7f pushed by lohedges
November 18, 2024 11:54 16s main
main
November 18, 2024 11:54 16s
Fix total charge Build and test #244: Pull request #38 synchronize by lohedges
November 18, 2024 11:16 16s fix_total_charge
fix_total_charge
November 18, 2024 11:16 16s
Add qm_charge kwarg to EMLECalculator constructor. Build and test #243: Commit 3075a9b pushed by lohedges
November 18, 2024 11:16 3m 34s fix_total_charge
fix_total_charge
November 18, 2024 11:16 3m 34s
Fix total charge Build and test #242: Pull request #38 opened by lohedges
November 18, 2024 10:23 12s fix_total_charge
fix_total_charge
November 18, 2024 10:23 12s