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Issues list

multiple fragments reported for some of the molecules in some of the descriptors.
#111 opened Dec 15, 2023 by sumone-compbio
1
Community-Maintained Version of mordred
#109 opened Jul 20, 2023 by JacksonBurns
6
Definition of Information Content descriptors
#108 opened Jun 22, 2023 by LIVazquezS
descriptor calculation error module 'numpy' has no attribute 'float'
#107 opened May 21, 2023 by abckit
2
RuntimeError when using calc.pandas
#106 opened Mar 20, 2023 by alsalehf
1
Nan values for error in the descriptor calculations
#104 opened Dec 10, 2022 by RicardoMBorges
MIssing atoms in bondi_radii dict for VdwVolumeABC
#103 opened Nov 22, 2022 by martinwk
RecursionError: maximum recursion depth exceeded while calling a Python object
#101 opened Jul 18, 2022 by KojoMarko
1
Deprecation Warning
#100 opened Dec 25, 2021 by Pantelispanka
2
Max.... dexriptors only give errors of string type "max() arg is an empty sequence (MAXssS)"
#98 opened Sep 2, 2021 by DocMinus
How to read .mol ​​files to calculate molecular descriptors using Mordred?
#97 opened Apr 22, 2021 by lsvalenciac
1
3D features and other features not working with SMILES
#96 opened Apr 12, 2021 by ky66
2
demonstration server not working
#94 opened Jan 27, 2021 by sibo
1
Error while calculating 3D descriptors: missing 3D coordinate (RNCS/RNCG/AtomicCharge/Propc/AtomicSurfaceArea)
#93 opened Jan 4, 2021 by cartilage-ftw
9
Compatible conda modules missing form install.
#92 opened Dec 3, 2020 by diegoenry
1
Can you provided a link to what these descriptors actually are?
#91 opened Nov 20, 2020 by ErikCVik
2
ImportError: cannot import name 'CalcPBF' from 'rdkit.Chem.rdMolDescriptors'
#85 opened Apr 9, 2020 by ademidun
4
module 'networkx' has no attribute 'biconnected_component_subgraphs
#84 opened Mar 31, 2020 by Shunsuke-1994
3
3
Question: Searching and filtering mordred error/Missing values
#83 opened Feb 9, 2020 by ravichas
13
Multiprocessing overloads cores
#82 opened Jan 29, 2020 by nathanmlim
2
RuntimeWarning: overflow encountered in reduce
#81 opened Nov 12, 2019 by DinosaurInSpace
5
Error in self tests
#80 opened Oct 27, 2019 by breisfeld
13
How to read sdf files using mordred to generate molecular descriptors?
#79 opened Oct 11, 2019 by EswarKalaga
2
Unintentional loop about calc.pandas
#78 opened Oct 10, 2019 by hori1537
RuntimeWarning: overflow encountered in reduce
#77 opened Jul 16, 2019 by frozenarm
6
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