openforcefield / openff-qcsubmit

Automated tools for submitting molecules to QCFractal
https://openff-qcsubmit.readthedocs.io/en/latest/index.html
MIT License
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Filtering persistent cache #227

Open jthorton opened 1 year ago

jthorton commented 1 year ago

When filtering datasets in different python sessions it would be faster if the qcfractal cache could be reused as repeated calls to to_records is slow and wasteful. One option would be to pass the name of a cache file which could be used to dump the cache's current state so it can be reused later.