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Commits on Jul 13, 2011
  1. Parameterized the benchmark driver

    committed Jul 13, 2011
  2. Fixed classpath conflicts by compiling against specific CDK versions,…

    … and only including Japex on the default classpath
    committed Jul 13, 2011
  3. Updated to Japex 1.2.2

    committed Jul 13, 2011
Commits on Oct 13, 2009
  1. @jonalv

    created fptype-config.xml + Drivers

    for compairing CDK-fingerprints
    jonalv committed with Oct 13, 2009
  2. @jonalv

    added bin to gitignore

    jonalv committed with Oct 13, 2009
Commits on Sep 30, 2009
  1. Add new file containing molecular formulas

    Miguel Rojas Cherto committed with Feb 10, 2009
  2. @metamolecular

    copyright, license, cleanup

    metamolecular committed with Jan 22, 2009
  3. @metamolecular
Commits on Jun 8, 2009
Commits on Jan 21, 2009
  1. @metamolecular

    added pubchem query used to create test dataset

    Signed-off-by: Egon Willighagen <egon.willighagen@gmail.com>
    metamolecular committed with Jan 21, 2009
  2. @metamolecular

    changed ring test data to be more representative

    Signed-off-by: Egon Willighagen <egon.willighagen@gmail.com>
    metamolecular committed with Jan 21, 2009
Commits on Jan 20, 2009
  1. @metamolecular
  2. @rajarshi

    Updated README to indicate how to run a test

    Signed-off-by: Egon Willighagen <egon.willighagen@gmail.com>
    rajarshi committed with Jan 19, 2009
  3. @rajarshi

    Got rid of print statements from the SDF benchmark

    Signed-off-by: Egon Willighagen <egon.willighagen@gmail.com>
    rajarshi committed with Jan 19, 2009
  4. @rajarshi

    Got rid of print statements from the SDF benchmark

    Signed-off-by: Egon Willighagen <egon.willighagen@gmail.com>
    rajarshi committed with Jan 19, 2009
  5. @metamolecular
  6. @metamolecular
  7. @metamolecular

    copyright, author notices

    metamolecular committed Jan 20, 2009
  8. @metamolecular

    Merge branch 'master' of git://github.com/rajarshi/cheminfbenchmark

    * 'master' of git://github.com/rajarshi/cheminfbenchmark:
      Updated README to indicate how to run a test
      Got rid of print statements from the SDF benchmark
      Got rid of print statements from the SDF benchmark
    metamolecular committed Jan 20, 2009
  9. @metamolecular

    removed printlns

    metamolecular committed Jan 20, 2009
Commits on Jan 19, 2009
  1. @rajarshi
  2. @rajarshi
  3. @rajarshi
  4. @rajarshi

    got rif of old 1.2.x jar file

    Signed-off-by: Egon Willighagen <egon.willighagen@gmail.com>
    rajarshi committed with Jan 18, 2009
  5. @rajarshi

    version of fp benchmark that runs in reasonable time. Also updated to…

    … take fp params via the config file, so we can test multiple fingerprints and parameters
    
    Signed-off-by: Egon Willighagen <egon.willighagen@gmail.com>
    rajarshi committed with Jan 18, 2009
  6. @rajarshi

    Renamed isomorphism benchmark config file

    Signed-off-by: Egon Willighagen <egon.willighagen@gmail.com>
    rajarshi committed with Jan 18, 2009
  7. @rajarshi

    added data for fp benchmark, derived from the pubchem smiles

    Signed-off-by: Egon Willighagen <egon.willighagen@gmail.com>
    rajarshi committed with Jan 18, 2009