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Issues list

Conformer Generation might fail within EmbedAlignScore() leading to ValueError: Bad Conformer Id
#34 opened Feb 15, 2025 by Foly93
1
Erorr when installing from PIP
#32 opened Dec 11, 2024 by khoroshyy
2
substructure similarity
#27 opened May 29, 2023 by yufengwhy
1
ML partial charges
#24 opened Sep 9, 2022 by Mirrty
2
how to generate figure 10
#23 opened Sep 5, 2022 by linminhtoo
2
error when using psi4/resp: Fatal Error: RHF: RHF reference is only for singlets.
#22 opened Sep 5, 2022 by linminhtoo
3
Fails to install
#21 opened Aug 24, 2022 by rbf22
4
When viewing aligned conformations how to select the best aligned?
#20 opened Aug 2, 2022 by noahharrison64
2
Package versions not included in environment.yml file
#19 opened Aug 2, 2022 by noahharrison64
3
Git tag or pypi release
#15 opened Jun 7, 2022 by hadim
10
ESP similarity formala intuition
#8 opened Dec 14, 2021 by PigUnderRoof
4
DM21 integration
#7 opened Dec 14, 2021 by PigUnderRoof
2
conda pakage
#5 opened Dec 11, 2021 by tsenapathi
4
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