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MultiPharm

Source code of MultiPharm under Mozilla Public License Version 2.0, https://www.mozilla.org/en-US/MPL/2.0/ For non-academics: a licence needed. Contact with the authors.

jMetal and Openeye Libraries belong to their authors and access to them depends on any applicable restrictions. Additionally, a valid OpenEye license is mandatory to run the software.

For more information about libraries go to https://github.com/jMetal/jMetal and https://www.eyesopen.com/.

How to run

  1. mvn package
  2. export CLASSPATH=jmetal-core/target/jmetal-core-5.8-jar-with-dependencies.jar:jmetal-problem/target/jmetal-problem-5.8-jar-with-dependencies.jar:jmetal-exec/target/jmetal-exec-5.8-jar-with-dependencies.jar:jmetal-problem/target/jmetal-problem-5.8-jar-with-dependencies.jar
  3. java org.uma.jmetal.runner.multiobjective.MOEADRunnerMultiPharm org.uma.jmetal.problem.multiobjective.MultiPharm [path-to-query] [path-to-target]
  4. Results are saved in a folder with the name of the query molecule.

About

Source code of OptiPharm_ES related to the work: https://doi.org/10.15388/21-INFOR469

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