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The Chemistry Development Kit
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8
Last push
153mo ago
Recent commits
Latest commits.
Also include the dependencies of the smiles module
8d0a833
Egon Willighagen
154mo ago
With the fix, the number of tries needed to get the expected accuracy is much less
0b6de9a
Egon Willighagen
154mo ago
Improved random number generation in a range.
b4eb6a8
John May
154mo ago
[PATCH] Wrote missing test: Tanimoto on IBitfingerprints
d827176
jonalv
154mo ago
Removed a bad tests: the matcher uses and requires implicit hydrogens explicitly, and the test does not have them; the testFindMatchingAtomType_IAtomContainer_IAtom() does and works find
6c8280c
Egon Willighagen
154mo ago
Deprecating old implementations.
d4c923f
John May
154mo ago
Making it clearer how to use the electron donation factory methods and updating the documentation with the new naming.
af8b84c
John May
154mo ago
Correcting copyright year.
f69a8bc
John May
154mo ago
Top contributors
Builders behind this project.
egonw
1.4K commits
johnmay
621 commits
rajarshi
221 commits
gilleain
174 commits
asad
52 commits
jonalv
50 commits
danielszisz
15 commits
yapchunwei
13 commits