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Inactive
Commits
: Listings
Analyzed
about 2 hours
ago. based on code collected
about 5 hours
ago.
Jul 31, 2024 — Jul 31, 2025
Showing page 1 of 8
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final commit before 1.3.1
mark_rynbeek
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about 14 years ago
oops
mark_rynbeek
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about 14 years ago
Commit for next release 1.3.1
mark_rynbeek
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about 14 years ago
update ambit jar file plus minor related fixes
mark_rynbeek
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over 14 years ago
Update on doc and fiddling with query bonds
mark_rynbeek
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over 14 years ago
Tautomer feature enabled
mark_rynbeek
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over 14 years ago
CDK master update
mark_rynbeek
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over 14 years ago
fixed spelling mistake
mark_rynbeek
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over 14 years ago
Updated the molfile column in the test table to have a new name 'smiles_or_mol'
mark_rynbeek
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over 14 years ago
Added a test for property calculation and made a fix in the conversion
mark_rynbeek
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over 14 years ago
Various in one commit: upgrade to InChI 1.03, fix in jcp.jar, updated documentation, extra option for searches.
mark_rynbeek
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over 14 years ago
Minor fixes and updated jcp.jar
mark_rynbeek
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almost 15 years ago
SMILES are now also accepted as base data for indexing
mark_rynbeek
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almost 15 years ago
updated cdk jar and ambit jar
mark_rynbeek
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almost 15 years ago
Added calculate package and classes (calc mass, formula etc)
mark_rynbeek
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almost 15 years ago
Update DOC
mark_rynbeek
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about 15 years ago
Another fine commit, if I say so myself...
mark_rynbeek
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about 15 years ago
Adding explicit hydrogen sensitivity to the substructure search
mark_rynbeek
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about 15 years ago
Include ambit in distribution
mark_rynbeek
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about 15 years ago
Updated documentation
mark_rynbeek
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about 15 years ago
Removed obsolete code from demo website
mark_rynbeek
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about 15 years ago
single compound similarity calc added
mark_rynbeek
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about 15 years ago
Fixed a bug in the fingerprinter
mark_rynbeek
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about 15 years ago
fix mistake
mark_rynbeek
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about 15 years ago
RGroup query documentatione
mark_rynbeek
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about 15 years ago
Simplified web pages
mark_rynbeek
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over 15 years ago
Test web site simplification. Beetje opgeleukt
mark_rynbeek
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over 15 years ago
BUGFIX
mark_rynbeek
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over 15 years ago
Rgroup Query web testing and unit testing
mark_rynbeek
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over 15 years ago
Update of JCP applet
mark_rynbeek
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over 15 years ago
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