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Fix hydrogen handling in scaffolds with explicit attachment points #147

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Fix hydrogen handling in scaffolds with explicit attachment points

Fix hydrogen handling in scaffolds with explicit attachment points #147

Triggered via pull request December 16, 2023 00:55
@kmaziarzkmaziarz
opened #70
kmaziarz/fix-scaffold-hydrogens
Status Success
Total duration 7m 12s
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ci.yml

on: pull_request
Matrix: build
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21 warnings
python 3.9.16, tf 2.9.1, rdkit 2022.09.1
Mamba support is still experimental and can result in differently solved environments!
python 3.9.16, tf 2.9.1, rdkit 2022.09.1
warning libmamba Could not parse mod/etag header
python 3.9.16, tf 2.9.1, rdkit 2022.09.1
warning libmamba Could not parse mod/etag header
python 3.9.16, tf 2.9.1, rdkit 2022.09.1
warning libmamba Could not parse mod/etag header
python 3.9.16, tf 2.9.1, rdkit 2022.09.1
warning libmamba Could not parse mod/etag header
python 3.9.16, tf 2.9.1, rdkit 2022.09.1
warning libmamba Could not parse mod/etag header
python 3.9.16, tf 2.9.1, rdkit 2022.09.1
warning libmamba Could not parse mod/etag header
python 3.10, tf 2.9.*, rdkit latest
Mamba support is still experimental and can result in differently solved environments!
python 3.10, tf 2.9.*, rdkit latest
warning libmamba Could not parse mod/etag header
python 3.10, tf 2.9.*, rdkit latest
warning libmamba Could not parse mod/etag header
python 3.10, tf 2.9.*, rdkit latest
warning libmamba Could not parse mod/etag header
python 3.10, tf 2.9.*, rdkit latest
warning libmamba Could not parse mod/etag header
python 3.10, tf 2.9.*, rdkit latest
warning libmamba Could not parse mod/etag header
python 3.10, tf 2.9.*, rdkit latest
warning libmamba Could not parse mod/etag header
python 3.8.16, tf 2.6.2, rdkit 2021.09.1
Mamba support is still experimental and can result in differently solved environments!
python 3.8.16, tf 2.6.2, rdkit 2021.09.1
warning libmamba Could not parse mod/etag header
python 3.8.16, tf 2.6.2, rdkit 2021.09.1
warning libmamba Could not parse mod/etag header
python 3.8.16, tf 2.6.2, rdkit 2021.09.1
warning libmamba Could not parse mod/etag header
python 3.8.16, tf 2.6.2, rdkit 2021.09.1
warning libmamba Could not parse mod/etag header
python 3.8.16, tf 2.6.2, rdkit 2021.09.1
warning libmamba Could not parse mod/etag header
python 3.8.16, tf 2.6.2, rdkit 2021.09.1
warning libmamba Could not parse mod/etag header