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gadsbyfly
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PyBioMed
machine learning, molecular descriptor
http://pybiomed.readthedocs.io/en/latest/index.html
BSD 3-Clause "New" or "Revised" License
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Different fingerprints results from PubChemFingerprints.py and PubChemPy module.
#24
jslee-hits
opened
5 months ago
0
PubChem fingerprint implementation contains bad algorithm for features #116 to #255; and bad implementation of feature #60
#23
ZlatomirTodorov
opened
1 year ago
1
constitution doesn't work on python3
#22
sunglyoungKim
opened
1 year ago
0
When I calculated the result of PubChem fingerprint, it was different from that of Padel software. Did anyone notice this problem, or did I make a mistake? Attached is my program
#21
Ls94wood
opened
2 years ago
1
What version of RDKit was used when building PyBioMed
#20
Ls94wood
opened
2 years ago
1
Getting all descriptors
#19
NadavQuris
closed
2 years ago
1
AttributeError: ‘url’ has no attribute ‘urlretrieve’ when calcutating AAindex
#18
TeddyGlass
opened
2 years ago
0
can't find zip file
#17
soyeonlee-1
closed
2 years ago
2
Fixes for errors in computation of All descriptors and addition of the remaining descriptors from ChemoPy
#16
Bibyutatsu
closed
2 years ago
0
Fixes to compute all descriptors
#15
FL33TW00D
closed
3 years ago
0
Update Pymolecule.py
#14
avanteijlingen
closed
3 years ago
0
:zap: improve efficient of function CalculateGraphDistance()
#13
kotori-y
closed
3 years ago
0
More bugs experience whenever I try to refactor the code
#12
danielmuthama
opened
4 years ago
0
Error while calculating Kappa Descriptor
#11
omkarfirame
opened
4 years ago
2
Error while calculating Basak information
#10
omkarfirame
opened
4 years ago
2
DEV: Add travis config
#9
MartinThoma
closed
4 years ago
1
Replace pybel by openbabel.pybel
#8
MartinThoma
closed
4 years ago
0
Use absolute imports for py2 and py3 compatibility
#7
MartinThoma
closed
4 years ago
0
MAINT: Make formatting consistent
#6
MartinThoma
closed
4 years ago
1
Use urllib in a Python 2 and Python 3 compatible way
#5
MartinThoma
closed
4 years ago
0
MAINT: Use print-functions instead of print statements
#4
MartinThoma
closed
4 years ago
1
Python 3 support
#3
MartinThoma
opened
4 years ago
4
Fixed Misspell Error
#2
kotori-y
closed
4 years ago
0
ZeroDivisionError when computing molecular descriptors
#1
lorenzoFabbri
opened
5 years ago
2