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Different fingerprints results from PubChemFingerprints.py and PubChemPy module.

Status: Open.

#24 In gadsbyfly/PyBioMed;

· jslee-hits opened on May 20, 2024

PubChem fingerprint implementation contains bad algorithm for features #116 to #255; and bad implementation of feature #60

Status: Open.

#23 In gadsbyfly/PyBioMed;

· ZlatomirTodorov opened on Apr 19, 2023

constitution doesn't work on python3

Status: Open.

#22 In gadsbyfly/PyBioMed;

· sunglyoungKim opened on Jan 17, 2023

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

Status: Open.

#21 In gadsbyfly/PyBioMed;

· Ls94wood opened on Sep 9, 2022

What version of RDKit was used when building PyBioMed

Status: Open.

#20 In gadsbyfly/PyBioMed;

· Ls94wood opened on Sep 7, 2022

AttributeError: ‘url’ has no attribute ‘urlretrieve’ when calcutating AAindex

Status: Open.

#18 In gadsbyfly/PyBioMed;

· TeddyGlass opened on May 17, 2022

More bugs experience whenever I try to refactor the code

Status: Open.

#12 In gadsbyfly/PyBioMed;

· danielmuthama opened on Sep 28, 2020

Error while calculating Kappa Descriptor

Status: Open.

#11 In gadsbyfly/PyBioMed;

· omkarfirame opened on May 11, 2020

Error while calculating Basak information

Status: Open.

#10 In gadsbyfly/PyBioMed;

· omkarfirame opened on May 11, 2020

Python 3 support

Status: Open.

#3 In gadsbyfly/PyBioMed;

· MartinThoma opened on Feb 21, 2020

ZeroDivisionError when computing molecular descriptors

Status: Open.

#1 In gadsbyfly/PyBioMed;

· lorenzoFabbri opened on Apr 24, 2019