enumerate the changes of that PR.
In MoleculeTransformer.transform,
If mols is a dataframe, then the first column of this dataframe is saved in mols as a pd.Series.
Also features generated are passed to utils.check_array from scikit-learn and then returned
Checklist:
[x] Was this PR discussed in an issue? It is recommended to first discuss a new feature into a GitHub issue before opening a PR.
[x] Add tests to cover the fixed bug(s) or the new introduced feature(s) (if appropriate).
[ ] Update the API documentation if a new function is added, or an existing one is deleted. Eventually consider making a new tutorial for new features.
[ ] Write concise and explanatory changelogs below.
[ ] If possible, assign one of the following labels to the PR: feature, fix or test (or ask a maintainer to do it for you).
discussion related to that PR
It was discussed first with @maclandrol and Ben Fogelson.
Changelogs
Also features generated are passed to utils.check_array from scikit-learn and then returned
Checklist:
feature,fixortest(or ask a maintainer to do it for you).discussion related to that PR It was discussed first with @maclandrol and Ben Fogelson.