Greg Landrum 17a4d25e88 further refinement

2012-07-07 13:22:10 +00:00

..

bfpgist-91.sql

work around an order-dependence thing in the cartridge tests

2012-05-31 05:44:43 +00:00

bfpgist-pre91.sql

switch to a single Makefile and further build-system rationalizations

2011-10-25 05:22:55 +00:00

btree.sql

fix problem in the new is_smiles_valid()

2010-12-11 16:13:27 +00:00

fpgist.sql

initial import

2010-07-02 06:57:26 +00:00

fps.sql

add default arguments for morgan and featmorganfps

2011-07-18 05:27:53 +00:00

inchi.sql

add inchi support to cartridge

2011-07-02 05:29:43 +00:00

molgist.sql

update makefile;

2010-07-17 05:39:43 +00:00

props.sql

add some additional descriptors to the cartridge

2011-03-19 04:25:48 +00:00

rdkit-91.sql

further refinement

2012-07-07 13:22:10 +00:00

rdkit-pre91.sql

add mol_from_smarts and mol_from_smiles

2012-03-04 16:24:44 +00:00

sfpgist.sql

initial import

2010-07-02 06:57:26 +00:00

slfpgist.sql

initial import

2010-07-02 06:57:26 +00:00