Code

Kliff master v1 lightning#182

Code

Merged

mjwen merged 26 commits intoopenkim:v1openkim/kliff:v1from ipcamit:kliff-master-v1-lightningipcamit/kliff:kliff-master-v1-lightningCopy head branch name to clipboardJun 24, 2024

+2,747-43

Commits

Commits on Feb 15, 2024

• Trainer module

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Commits on Feb 20, 2024

• Merge branch 'kliff-master-v1' into kliff-trainer-v1

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Commits on Feb 23, 2024

• Trainer base class implemented

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Commits on Feb 28, 2024

• Trainer base class working

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Commits on Mar 4, 2024

• First draft trainer framework

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Commits on Apr 6, 2024

• from config functionality in KIMModel

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Commits on Apr 8, 2024

• DS and Model manifest initialization

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Commits on Apr 16, 2024

• Moved back from omegaconf to dict

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Commits on Apr 17, 2024

• Working KIM trainer module

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• Merged Eric's PR

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Commits on Apr 19, 2024

• Torch ml trainer added, to test

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Commits on Apr 23, 2024

• working descriptor module

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• stress in loss function

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Commits on May 13, 2024

• Functional non NaN torch trainer

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Commits on May 20, 2024

• Functioning Lightning trainer, tested on nequip

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Commits on May 21, 2024

• Data resume capabilities added

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Commits on May 26, 2024

• Dynamic loading in Lightning train

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Commits on May 27, 2024

• Added Lightning checkpoints for model save and loss traj + prelims for stress in training loss

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Commits on Jun 3, 2024

• Modified dataset weights + tests to reflect

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Commits on Jun 5, 2024

• Cleanup + indices

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Commits on Jun 9, 2024

• implemented save kim odel

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Commits on Jun 10, 2024

• Checked model export

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• Added restart capabilities

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• Lightning trainer updates: Added KIM-API model export capabilities + ckpt resume capabilities + docstrings

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Commits on Jun 18, 2024

• Lightning trainer and tests

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Commits on Jun 23, 2024

• Lightning trainer Comments #1

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