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Batched inputs are not supported for NNPOps optimised models. Build and test #275: Commit 8143cd2 pushed by lohedges
January 6, 2025 14:04 4m 7s feature_backends
feature_backends
January 6, 2025 14:04 4m 7s
Crude batch support for MACEEMLE model. Build and test #274: Commit dac3d81 pushed by lohedges
January 6, 2025 12:31 4m 16s feature_backends
feature_backends
January 6, 2025 12:31 4m 16s
Refactor energy and gradient calculation into a common method. Build and test #273: Commit 4fe6652 pushed by lohedges
December 16, 2024 16:02 4m 42s feature_backends
feature_backends
December 16, 2024 16:02 4m 42s
Try bumping to conda-incubator/setup-miniconda@v3. Build and test #272: Commit db0f99c pushed by lohedges
December 16, 2024 12:26 3m 38s feature_backends
feature_backends
December 16, 2024 12:26 3m 38s
Fix optimised Sire callback method. Build and test #271: Commit b56eead pushed by lohedges
December 16, 2024 12:14 35s feature_backends
feature_backends
December 16, 2024 12:14 35s
Move SpeciesConverter to the correct device. Build and test #270: Commit 7bd2323 pushed by lohedges
December 16, 2024 12:01 41s feature_backends
feature_backends
December 16, 2024 12:01 41s
Fix optimisation of EMLEAEVComputer. Build and test #269: Commit dbfc754 pushed by lohedges
December 16, 2024 11:59 40s feature_backends
feature_backends
December 16, 2024 11:59 40s
Don't pass charge to forward in sire_callback method. Build and test #268: Commit 68f3067 pushed by lohedges
December 16, 2024 11:26 43s feature_backends
feature_backends
December 16, 2024 11:26 43s
Use list of supported backends from top-level __init__. Build and test #267: Commit e9c9fb8 pushed by lohedges
December 16, 2024 11:21 35s feature_backends
feature_backends
December 16, 2024 11:21 35s
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