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I Use This!
High Activity

Commits : Listings

Analyzed about 17 hours ago. based on code collected 1 day ago.
Jun 21, 2024 — Jun 21, 2025
Commit Message Contributor Files Modified Lines Added Lines Removed Code Location Date
a bit more cleanup More... almost 17 years ago
cleanup and fix some of the definitions More... almost 17 years ago
cleanup and fix some of the definitions More... almost 17 years ago
optimization of the chiral atom ranking code: decrease the max number of cycles More... almost 17 years ago
optimization of the chiral atom ranking code: decrease the max number of cycles More... almost 17 years ago
update a bit to use subprocess.call for python2.5 and greater More... almost 17 years ago
update a bit to use subprocess.call for python2.5 and greater More... almost 17 years ago
make tests easier to run More... almost 17 years ago
make tests easier to run More... almost 17 years ago
be more explicit about failures to find executables; default to python2.5 these days on windows More... almost 17 years ago
be more explicit about failures to find executables; default to python2.5 these days on windows More... almost 17 years ago
support isomeric smiles from the SmilesWriter More... almost 17 years ago
support isomeric smiles from the SmilesWriter More... almost 17 years ago
small rearrangement More... almost 17 years ago
small rearrangement More... almost 17 years ago
fix an inefficiency here More... almost 17 years ago
fix an inefficiency here More... almost 17 years ago
check that self bonds are not added More... almost 17 years ago
check that self bonds are not added More... almost 17 years ago
first pass at constrained conformation generation More... almost 17 years ago
first pass at constrained conformation generation More... almost 17 years ago
tja, it's better if the code compiles before we commit it. More... almost 17 years ago
tja, it's better if the code compiles before we commit it. More... almost 17 years ago
(re)organize some of the documentation More... almost 17 years ago
(re)organize some of the documentation More... almost 17 years ago
get this working under windows More... almost 17 years ago
get this working under windows More... almost 17 years ago
a bit of refactoring. More... almost 17 years ago
a bit of refactoring. More... almost 17 years ago
initial version of Tversky similarity (feature request 2015633) along with a bit of refactoring More... almost 17 years ago