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I've managed to add in the official validation suite provided by the MMFF94{s} authors via the SI files in https://doi.org/10.1186/s13321-014-0037-3 as JUnit tests. These can be found here and CI here.
Would there be interest in pulling this to the master?
The text was updated successfully, but these errors were encountered:
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I've managed to add in the official validation suite provided by the MMFF94{s} authors via the SI files in https://doi.org/10.1186/s13321-014-0037-3 as JUnit tests. These can be found here and CI here.
Would there be interest in pulling this to the master?
The text was updated successfully, but these errors were encountered: