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24 Open 27 Closed
24 Open 27 Closed
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Issues list

mmpdb fragment fails with RDKit 2024.03.6 or newer
#65 opened Oct 30, 2024 by ricrogz
1
Support for double-cut linkers with 0 atoms
#64 opened Oct 17, 2024 by baoilleach
1
Unexpected results from Generate
#63 opened Sep 29, 2024 by lydiaauch
How to use SQL to get the table of all rules in the mmpdb file, as well as the number of pairs, and statistics for each rule?
#62 opened May 10, 2024 by Yueming-Yin
Release the latest version into PyPI?
#58 opened Mar 16, 2024 by ywu
2
Unexpected generated molecule with double cuts MMPDB
#54 opened Jun 5, 2023 by alicecapecchi
4
Turning on --property flag leading to a smaller number of transformed structures
#52 opened Apr 25, 2023 by chengthefang
Obtain list of matched pairs with common core from an ID.
#50 opened Nov 23, 2022 by isohelio
4
AttributeError: module '__main__' has no attribute '__spec__'
#48 opened Sep 5, 2022 by alyferryhalo
[docs] README.md: create installation guide
#47 opened Sep 5, 2022 by alyferryhalo
5
mmpdb transform behaves unexpectedly
#45 opened Feb 5, 2022 by mu-wang
5
Use SQLAlchemy to work with the database
#38 opened Oct 13, 2021 by adalke
1
To increase the max_rotatable_bonds?
#32 opened Jul 22, 2021 by brendaferrari
2
Failure with mmpdb fragment for some specific smiles
#30 opened Apr 4, 2021 by chengthefang
7
no_regioisomer filter could be useful enhancement
#24 opened Nov 29, 2019 by KramerChristian
Smallest transformation only appears to not reduce to H>>X transformation enhancement
#23 opened Nov 29, 2019 by KramerChristian
Smallest-transformation-only does not reduce all double cuts to single cuts enhancement
#22 opened Nov 29, 2019 by KramerChristian
mmpdb transform --min-constant-size N - AttributeError: 'Fragmentation' object has no attribute 'num_variable_heavies'
#21 opened Nov 27, 2019 by Niaev
1
--smallest-transformation-only doesn't work for some transformations
#20 opened Nov 4, 2019 by mahendra-awale
Add property information to CSV export enhancement
#18 opened Sep 27, 2019 by mrcblt
1
Stop cutting aliphatic C-Halogen bonds enhancement
#17 opened Sep 27, 2019 by KramerChristian
Enable Specification of exchange Fragment in mmpdb transform enhancement
#16 opened Sep 27, 2019 by KramerChristian
multiple smarts in --cut-smarts enhancement
#15 opened Aug 30, 2019 by acquaregia
10
ujson is not appreciably faster than json
#4 opened Jun 4, 2018 by adalke
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