Add supramolecular benchmark: PLA15 #69
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…add MDAnalysis package
…toms.info e.g. ion-ion or ion-neural (no neutral-neutral here)
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Summary
The PLA15 benchmark is a protein-ligand interaction benchmark containing 15 complexes with full active sites.
Linked issue #68
Resolves #
Progress
Testing
MACE-MP-0a and MACE-OMAT-0New decorators/callbacks
N/A