Greg Landrum e34ba72849 at this point fingerprints to/from bytea should work; I am still somewhat concerned about a potential memory leak

2012-08-25 03:48:42 +00:00

..

bfpgist-91.out

work around an order-dependence thing in the cartridge tests

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

bfpgist-pre91.out

switch to a single Makefile and further build-system rationalizations

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

btree.out

switch internal representation of bit vects

2012-07-08 13:31:34 +00:00

fpgist.out

initial import

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

fps.out

add default arguments for morgan and featmorganfps

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

inchi.out

add inchi support to cartridge

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

molgist.out

update makefile;

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

props.out

add some additional descriptors to the cartridge

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

rdkit-91.out

at this point fingerprints to/from bytea should work; I am still somewhat concerned about a potential memory leak

2012-08-25 03:48:42 +00:00

rdkit-pre91.out

add mol_from_smarts and mol_from_smiles

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

sfpgist.out

initial import

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

slfpgist.out

initial import

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