data/pubchem_sample_33.sdf lib/mx-0.108.1.jar mx-cdk-sdf.xml src/net/openmolecules/benchmark/driver/CDKSDFBench.java src/net/openmolecules/benchmark/driver/MXSDFBench.java @@ -19,7 +19,7 @@ <property name="license.file" location="LICENSE.txt" /> <property name="junit.lib" value="${lib.dir}/junit-4.5.jar" /> <property name="test.class" value = "net.openmolecules.benchmark.test.Main" /> - <property name="config" value="smiles-parse-config.xml"/> + <property name="config" value="mx-cdk-sdf.xml"/> <!-- filesets --> <fileset dir="${lib.dir}" id="libs"> <include name="**/*.jar" /> build.xml a34b44fef2524552ccd41fa77749a4a320aed73a Richard Apodaca rapodaca rapodaca@metamolecular.com http://github.com/rapodaca/cheminfbenchmark/commit/106b561b9f7df7316bf31a3f25ef619e845d3efd 106b561b9f7df7316bf31a3f25ef619e845d3efd 2009-01-19T00:13:24-08:00 2009-01-19T00:13:24-08:00 added mx, mx/cdk mw/sdf comparison 646323ad057199da336289dfab03b41d69fbab62 Richard Apodaca rapodaca rapodaca@metamolecular.com