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bring Curation funcs #138 to 1.4.0#150

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mauvais2 merged 4 commits into1.4.0from
curation_funcs_1.4
Jun 13, 2022
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bring Curation funcs #138 to 1.4.0#150
mauvais2 merged 4 commits into1.4.0from
curation_funcs_1.4

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@mauvais2 mauvais2 commented Jun 6, 2022

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mauvais2 and others added 4 commits June 6, 2022 12:56
…data has too few SMILES

with replicate measurements to allow variance estimation. Made messages less verbose by default.
Improved code to handle optimization failures.
…e filter to be ignored.

Added test module and associated dataset.
…s won't fail

when running with fixed version of curate_data.average_and_remove_duplicates. This
function had a bug that prevented it from removing outlier rows as advertised.
@mauvais2 mauvais2 merged commit 0bbbfe9 into 1.4.0 Jun 13, 2022
@mauvais2 mauvais2 deleted the curation_funcs_1.4 branch June 15, 2022 21:35
@mauvais2 mauvais2 mentioned this pull request Jun 15, 2022
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2 participants