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Add config option for parameterisation of charged ligands #36

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Add config option for parameterisation of charged ligands

Add config option for parameterisation of charged ligands #36

Run time

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Job Run time
Test on ubuntu-latest, Python 3.9
54m 34s
Test on ubuntu-latest, Python 3.10
44m 7s
Test on ubuntu-latest, Python 3.11
44m 59s
2h 23m 40s