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Example usage #4

Merged
merged 4 commits into from
Jun 1, 2023
Merged

Example usage #4

merged 4 commits into from
Jun 1, 2023

Commits on May 30, 2023

  1. Added test class and resource file -molecule set- for an example usag… 

    …e that can also be given in the GitHub wiki, WIP;
    @JonasSchaub
    JonasSchaub committed May 30, 2023
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Commits on May 31, 2023

  1. Extended example usage test;

    @JonasSchaub
    JonasSchaub committed May 31, 2023
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Commits on Jun 1, 2023

  1. Import input file using class resources;

    @JonasSchaub
    JonasSchaub committed Jun 1, 2023
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  2. Added comment about SMILES generation;

    @JonasSchaub
    JonasSchaub committed Jun 1, 2023
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