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paccmann / configuration.py

Commit History

wip

08f739a
unverified

jannisborn commited on Jun 13, 2024

refacor loading

bb77ad9
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jannisborn commited on Jun 12, 2024

fix: Bugfix in SMILES canonicalization

30c86cf
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jannisborn commited on Feb 22, 2023

update

ec53722
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jannisborn commited on Feb 1, 2023