gadsbyfly PyBioMed issues

gadsbyfly / PyBioMed

machine learning, molecular descriptor

http://pybiomed.readthedocs.io/en/latest/index.html

BSD 3-Clause "New" or "Revised" License

109 stars 61 forks source link

issues

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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