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Ran 02 Apr 2024 12:51PM UTC

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Committed 02 Apr 2024 12:42PM UTC coverage: 42.034% (+0.2%) from 41.787%

Job # 8522963786.1

Build Type

push

github

Committed by

web-flow

Commit Message

Add retraining DiffLinker to the workflow (#81)

* Move difflinker training item generation to model

* First pass at using examples in training

1. Create a JSON.gz file in before calling train script
2. Set the dataset override flag
3. Fix a few iterations

* Use a model from checkpoint

* Start a component test

* Update to use Xiaoli's latest model

* First attempt at XPU support

* Implement abstract methods

* Optimize the optimizer

* Add a hook for moving optimizer and model to XPU

* Use the GPU, but only one worker

Ensures that we don't get two pytorch tasks on the GPU
at the same time

* Add retraining to the workflow

* Add test file with 1024 example MOFs

* Reduce training set size

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main: 48%

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