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JacksonBurns
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mordred-community
Community-Maintained Version of mordred
https://jacksonburns.github.io/mordred-community/
BSD 3-Clause "New" or "Revised" License
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RuntimeWarning: invalid value encountered in scalar power
#18
LucaCappelletti94
opened
3 weeks ago
1
Patch Release `2.0.6`
#17
JacksonBurns
closed
3 months ago
0
Fix MDE overflow bug by computing the log of dx and then exponentiating
#16
jacob-osmo
closed
3 months ago
1
Unable to calculate majority of MorSE descriptors from 3D structures
#15
brunocalcada
closed
4 months ago
3
Generate descriptors from charged molecules
#14
brunocalcada
closed
4 months ago
3
increase float size to avoid some overflow error
#12
JacksonBurns
closed
8 months ago
1
Overflow Error
#11
dr-aspirinas
closed
8 months ago
3
Add GitHub Pages with Original Docs
#10
JacksonBurns
closed
8 months ago
0
Patch Release for Python 3.12 Support
#9
JacksonBurns
closed
11 months ago
0
Add support for Python 3.12 once `rdkit` does
#8
JacksonBurns
closed
11 months ago
1
fix numpy warning getting through filters and breaking stdout
#6
JacksonBurns
closed
1 year ago
0
Overflow eeror
#5
dkchalmers
closed
1 year ago
3
Update README with `conda-forge` Package
#4
JacksonBurns
closed
1 year ago
0
include package data in `pyproject.toml` & `conda-forge` package
#3
JacksonBurns
closed
1 year ago
1
Data directory missing
#2
TUstudents
closed
1 year ago
3
Initial Patches for Existing Problems
#1
JacksonBurns
closed
1 year ago
1