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darkreactions
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chemdescriptor
Generic molecular descriptor generator package
MIT License
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Error instantiating CAG (Python v3.9.7)
#4
llzhu
opened
1 year ago
0
Exception: Command for descriptor pka should be listFound <class 'str'>
#3
pramodkp
opened
1 year ago
0
First column of output CSV file is 'id' with ascending integer values for each instance instead of 'Compound' with SMILES listed
#2
notanotterpun
closed
5 years ago
12
create four smile codes for testing
#1
Ivyzhang1998
closed
5 years ago
0