Handle invalid molecules #42
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# Conflicts: # scikit_mol/conversions.py # scikit_mol/fingerprints.py # tests/fixtures.py
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Fantastic, hope to get time to look at it soon! |
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I'll pull into a new branch and look at it further, there seem to be some type incompatibilities flagged in the automatic testing. |
EBjerrum
merged commit e076a1c
into
EBjerrum:handle_invalid_molecules
0 of 9 checks passed
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Do you have more time to work on this, or should I simply take what I can use? |
Hey, sorry for the late reply. Take what you can use. |
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Thanks, there's some good ideas in there |
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This PR will allow to handle erroneous molecules to be skipped during processing without failing the entire pipeline.