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A collection of cheminformatics scripts that use rdkit

bits.csb.pitt.edu

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MIT license
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gkxiao/rdkit-scripts

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LICENSE

LICENSE

 
 

README.md

README.md

 
 

applysdfcoordstopdb.py

applysdfcoordstopdb.py

 
 

clustermatches.py

clustermatches.py

 
 

corerxnscaffold.py

corerxnscaffold.py

 
 

extractmatch.py

extractmatch.py

 
 

extractmatches.py

extractmatches.py

 
 

flipchiral.py

flipchiral.py

 
 

pains.py

pains.py

 
 

rdallconf.py

rdallconf.py

 
 

rdconf.py

rdconf.py

 
 

rdsim.py

rdsim.py

 
 

shape.py

shape.py

 
 

uffminimize.py

uffminimize.py

 
 

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rdkit-scripts

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A collection of cheminformatics scripts that use rdkit

bits.csb.pitt.edu

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