Fix Substance Encodings #474
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Spaces in the feature names are replaced by underscore
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AdrianSosic
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Feb 3, 2025
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This is a safety net for the case that encodings provide duplicated column names (likely due to bugs)
Botorch seems to have moved hosting locations for the API
This reverts commit 417ffeb.Reverted because there is no easy way of checking the new warning in existing tests.
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scikit-fingerprintshas updated to1.13.0. This broke our tests. This is caused by some of the new feature names having duplicates.>=0.13.1BCUT2Dfingerprint