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Load a checkpoint file from wandb directly into a potential. #311
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chrisiacovella
merged 20 commits into
choderalab:main
from
chrisiacovella:fetch_from_wandb
Nov 14, 2024
Merged
Load a checkpoint file from wandb directly into a potential. #311
chrisiacovella
merged 20 commits into
choderalab:main
from
chrisiacovella:fetch_from_wandb
Nov 14, 2024
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Additional details and impacted files |
… cannot automatically authenticate.
… load_inference_model_from_checkpoint now accepts an optional argument "only_unique_pairs" to set this when reading a checkpoint file, for any models trained prior to PR choderalab#299 (openmm integration).
… (now that openmm integration is merged).
I'm just going to merge this because it doesn't make any really substantial changes. |
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Pull Request Summary
It would be convenient to be able to setup a potential directly from a checkpoint file on weights and biases. This PR implements such functionality.
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