data/smarts-patterns.txt smarts-parse-config.xml src/net/openmolecules/benchmark/driver/SMARTSParseCDKBench.java @@ -1,4 +1,6 @@ nbproject build - +*.ipr +*.iml +*.iws .DS_Store .gitignore aed9759030eca7376687ac3aa1c8e713f92def3e Rajarshi Guha rajarshi.guha@gmail.com http://github.com/rapodaca/cheminfbenchmark/commit/2da9f39019ba37af759fb4c096cde440b75e69ca 2da9f39019ba37af759fb4c096cde440b75e69ca 2009-01-12T08:57:11-08:00 2009-01-12T08:57:11-08:00 Added a benchmark case for SMARTS parsing using latest CDK 1.2.x. Also created a separate config file for SMARTS parsing benchmark. Added data file with 260 SMARTS patterns 4031cf5b5302b2ea5491586a842e8fb2bd9269cc Rajarshi Guha rajarshi.guha@gmail.com