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db025bd6b0b366abbf653600a4ca2730764e61d8
rdkit
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GraphMol
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ChemTransforms
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testData
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Greg Landrum
bef74c1c81
initial support for reading query files. Python wrapper still needs to be done.
2012-12-17 10:28:35 +00:00
..
core_location.mol
add the test file
2011-03-04 05:23:13 +00:00
ethanol.mol
fix and test issue 3453144
2011-12-13 04:56:56 +00:00
oldcrash.mol
add a test
2007-08-03 03:55:13 +00:00
query_file1.txt
initial support for reading query files. Python wrapper still needs to be done.
2012-12-17 10:28:35 +00:00
query_file2.txt
initial support for reading query files. Python wrapper still needs to be done.
2012-12-17 10:28:35 +00:00