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MolToChemprop not compatible with chemprop 2.0.3 #36

Closed

2 tasks done

c-w-feldmann opened this issue Jul 3, 2024 · 0 comments · Fixed by #37

Closed

2 tasks done

MolToChemprop not compatible with chemprop 2.0.3 #36

c-w-feldmann opened this issue Jul 3, 2024 · 0 comments · Fixed by #37

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status: completed type: maintenance

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c-w-feldmann commented Jul 3, 2024 •

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In ChemProp 2.0.3 the interface for the MoleculeDatapoint has changed and is currently not compatible with molpipeline.

Make code compatible with new version
Require chemprop >= 2.0.3

c-w-feldmann linked a pull request

that will close this issue

Fix: moltochemprop not compatible with chemprop 2.0.3 #37

Merged

c-w-feldmann added type: maintenance status: doing labels

c-w-feldmann closed this as completed in #37

c-w-feldmann added status: completed and removed status: doing labels

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