1
I Use This!
High Activity

Commits : Listings

Analyzed about 6 hours ago. based on code collected about 23 hours ago.
Jan 08, 2025 — Jan 08, 2026
Commit Message Contributor Files Modified Lines Added Lines Removed Code Location Date
additional tests for sf.net bug 1934360. fix and test bug 1940646. a bit of refactoring of the aromaticity code More... over 17 years ago
clean up the keulization code a bit; more can be done here More... over 17 years ago
clean up the keulization code a bit; more can be done here initial fix and test for sf.net bug 1934360. more tests needed, so this is basically a backup commit More... over 17 years ago
this should have gone with rev610 More... over 17 years ago
this should have gone with rev610 More... over 17 years ago
change the way we handle atom-list queries so that they can be properly translated to SMARTS... test that More... over 17 years ago
change the way we handle atom-list queries so that they can be properly translated to SMARTS... test that More... over 17 years ago
make tests more automatic More... almost 18 years ago
make tests more automatic More... almost 18 years ago
run more tests More... almost 18 years ago
run more tests More... almost 18 years ago
not properly setting eof after going backwards and then re-hitting eof. More... almost 18 years ago
not properly setting eof after going backwards and then re-hitting eof. More... almost 18 years ago
doc update More... almost 18 years ago
doc update More... almost 18 years ago
tracking the hashes doesn't make a difference in runtime in the end, so don't bother More... almost 18 years ago
tracking the hashes doesn't make a difference in runtime in the end, so don't bother More... almost 18 years ago
test required fp trends;some optimization work More... almost 18 years ago
test required fp trends;some optimization work More... almost 18 years ago
make sure sim(C1CCC1,CCCC)>sim(C1CC1,CCC) More... almost 18 years ago
make sure sim(C1CCC1,CCCC)>sim(C1CC1,CCC) More... almost 18 years ago
Modify suppliers and parsers so that they don't throw exceptions into python when reading a bad molecule. (Feature request 1932875) More... almost 18 years ago
Modify suppliers and parsers so that they don't throw More... almost 18 years ago
get things building on windows. More... almost 18 years ago
get things building on windows. More... almost 18 years ago
change import order to "solve" an exception translation problem More... almost 18 years ago
change import order to "solve" an exception translation problem More... almost 18 years ago
add an alternate approach for hashing fingerprints More... almost 18 years ago
add an alternate approach for hashing fingerprints More... almost 18 years ago
switch everything over to dynamic linking in order to try and solve the horrible cross-library exception handling mess on linux. This may well break things on windows, which might want these things static. Regardless, even as it is, this should be considered experimental More... almost 18 years ago