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moldescriptor
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molecule-descriptors-webtool
A simple, user-friendly website where users can input molecules (a string) and use RDkit, an open source Python package, to calculate various descriptors.
Apache License 2.0
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Fix: Display Individual Descriptors When CalcMolDescriptors Is Selected
#11
johlys
opened
1 hour ago
0
Fix download CSV format
#10
johlys
opened
12 hours ago
0
Implement Search by Synonyms for RDKit Descriptors
#9
johlys
closed
3 hours ago
1
Should we move the Get Result button?
#8
kjemist
opened
1 day ago
0
Concatenate classes into search bar [Cosmetic]
#7
kjemist
opened
1 day ago
2
Fix CalcMolDescriptors
#6
kjemist
opened
1 day ago
0
Write Documentation
#5
kjemist
opened
2 days ago
0
Incorporate pH-charging of SMILES
#4
kjemist
opened
2 days ago
0
Tanimoto-similarity function
#3
kjemist
opened
2 days ago
1
Add Support for Descriptor Synonyms to Improve Search Usability
#2
johlys
closed
3 hours ago
0
Removed unnecessary requirements.txt and config.py
#1
johlys
closed
5 days ago
0