globus-labs / cascade

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LAST BUILD ON BRANCH v0.0.1

branch: v0.0.1

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• v0.0.1
• academy-proto
• add-chgnet
• add-lda
• add-mace
• ani-ens
• ani-hpo
• ani-stress
• blending
• cascade-proto
• chgnet-proxima
• different-npt
• dynamics-interface
• ensemble-stress
• first-docs
• fix-cp2k-ci
• init-packmol
• limit-train-size
• mace-freeze
• mace-no-results
• mace-on-the-fly
• main
• multi-formula-training
• multi-head
• new-calculator
• online-learning
• proto
• proxima-tests
• return-of-template
• round-0
• scale-ani
• serial-prototype
• serial-proxima
• stress
• to-nvt
• train-with-dbs
• use-pretrained-model
• use-torchani

Build # 14576370463

Build Type

push

github

Committed by web-flow

Commit Message

Introduce ability to freeze weights (#65)

* Fix name of pytorch-ignite pypi

* Add layer freezing to MACE interface

* Fix a unit test

* Switch to using pyPI for most packages

* Remove unneeded global

Run Details

12 of 14 new or added lines in 1 file covered. (85.71%)

920 of 968 relevant lines covered (95.04%)

0.95 hits per line