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JMolecular Energy 0.1.1

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@RamiManaf RamiManaf released this 02 Jun 17:34
· 38 commits to main since this release

Updates:

  • Fixed secondary amines charge calculation issue a113593
  • Enhanced search performance for MMFF94 parameters

To use this version add the following maven dependency in your pom.xml file:

<dependency>
    <groupId>io.github.ramimanaf</groupId>
    <artifactId>jme</artifactId>
    <version>0.1.1</version>
</dependency>