JMolecular Energy 0.1.1
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>