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Oloren-AI / olorenchemengine

OCE is the first infinitely composable library for reproducibly implementing SOTA molecular property prediction/QSAR techniques.
MIT License
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Unstable performance with oce model #74

Closed XZhang-ML closed 1 year ago

XZhang-ML commented 1 year ago

It's really nice software, thanks for all the efforts! one problem I noticed is that the model initiates with different seeds and let to different performances per run. Could you add a random state to the model parameter so the prediction is reproducible?

davidzqhuang commented 1 year ago

This is something that we wish to add at some point, but will likely take a bit of time to follow through on the development of this.

Mainly because given the amount of dependencies/ packages in use, we would need to standardize across all of them (if that is even possible).