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bp-kelley
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descriptastorus
Descriptor computation(chemistry) and (optional) storage for machine learning
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The values used to normalize the molecular descriptors.
#31
StefanIsSmart
opened
1 month ago
6
Errors met when installing rdkit in requirement.txt
#30
zoey-shan
opened
2 months ago
1
PyTorch installation may be too old'
#29
mahuahuahua
opened
6 months ago
1
RuntimeError: PyTorch installation may be too old.
#28
mahuahuahua
closed
6 months ago
0
Gilbrat check isn't correct
#27
KnathanM
closed
2 months ago
2
Dev
#26
surajgattani
closed
8 months ago
0
Dev
#25
surajgattani
closed
8 months ago
0
upgrade scipy version
#24
zspishere
opened
9 months ago
1
numpy.float error in newer versions of numpy
#23
rgasper
opened
11 months ago
7
gilbrat has been renamed in spicy gibrat
#22
bp-kelley
closed
11 months ago
1
Fixes for the latest scipy version
#21
jan-janssen
closed
11 months ago
2
The misspelt gilbrat distribution has been removed (use scipy.stats.gibrat)
#20
c-w-feldmann
closed
11 months ago
5
Made repo pip installable
#19
raunakdoesdev
opened
1 year ago
5
Enable install descripastorus w/o pre-install rdkit.
#18
rgasper
closed
1 year ago
3
Remove "RDKit Not Installable by Pip" error
#17
rgasper
closed
1 year ago
1
no tag for latest version
#16
bosconi
closed
11 months ago
3
Unable to make new descriptors, descriptor generator not installed
#15
WGDMS
closed
11 months ago
6
RDKit 2021.09.3 : Issue #11 is back again
#14
gratus907
closed
2 years ago
1
Issue in installation of descriptastorus
#13
imraaqeel
closed
2 years ago
2
Installation not compatiable with Python 2
#12
tsa87
closed
2 years ago
1
ERROR:root:Unable to make new descriptors
#11
alim11github
closed
2 years ago
6
to_np method should return array
#10
iwatobipen
closed
1 year ago
1
Error in clip sparse?
#9
miquelduranfrigola
closed
2 years ago
1
Logging issue
#8
Nummi83
closed
11 months ago
3
Warnings upon import
#7
hesther
closed
11 months ago
6
Missing pandas_flavor install
#6
jdakka
closed
2 years ago
3
Update requirements.txt
#5
sharmavaruns
closed
3 years ago
1
Made edit for setup to go to older version
#4
cswingle98
closed
4 years ago
0
Normalized rdkit feature
#3
kexul
closed
4 years ago
2
MarkDown Docs for Feature Descriptions
#2
lilleswing
closed
5 years ago
2
warning if kyotocabinet unavailable
#1
msteijaert
closed
5 years ago
1