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fix rdkit and chemprop to last functioning versions (#39)
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c-w-feldmann authored Jul 3, 2024
1 parent d805844 commit 41bb336
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Showing 2 changed files with 2 additions and 2 deletions.
2 changes: 1 addition & 1 deletion requirements.txt
Original file line number Diff line number Diff line change
Expand Up @@ -2,7 +2,7 @@ joblib >= 1.3.0
loguru
numpy < 2.0.0
pandas
rdkit >= 2023.9.1
rdkit >= 2023.9.1, <= 2023.9.6
scipy
setuptools
scikit-learn >= 1.4.0
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2 changes: 1 addition & 1 deletion requirements_chemprop.txt
Original file line number Diff line number Diff line change
@@ -1,2 +1,2 @@
chemprop>=2.0.0
chemprop >= 2.0.0, < 2.0.3
lightning

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