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uiocompcat / tmcinvdes

Public repository for preprint "Deep Generative Model for the Dual-Objective Inverse Design of Metal Complexes"
MIT License
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PR for issue 16, (7-8): exclude outliers from labeled TMCs #18

Closed tlinjordet closed 2 months ago

tlinjordet commented 3 months ago

In part due to IsolationForest using a random seed that was not fixed, perfect reproduction accuracy is not expected.

tlinjordet commented 3 months ago

@ABurnage : note that I bumped up the file size limit in the pre-commit config, so that should be re-installed after pulling the development branch to your local machine and testing.