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rdkit
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e5d76df3bc222d4cd4e35f09a4cf442b6f4fe584
rdkit
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GraphMol
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DistGeomHelpers
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test_data
History
Greg Landrum
1bca002c97
fix a minor coordinate problem in the regressions (connected to new chirality handling)
2006-11-22 04:25:24 +00:00
..
cis_trans_cases.csv
initial import
2006-05-06 22:20:08 +00:00
combi_coords.sdf
initial import
2006-05-06 22:20:08 +00:00
embedDistOpti2.sdf
initial import
2006-05-06 22:20:08 +00:00
embedDistOpti.sdf
initial import
2006-05-06 22:20:08 +00:00
initCoords.sdf
fix a minor coordinate problem in the regressions (connected to new chirality handling)
2006-11-22 04:25:24 +00:00
