Accept preprocessed dictionaries as inputs to `evaluate_mpnn` - Githubissues

exalearn / electrolyte-design

Workflow tools for electrolyte design project

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Accept preprocessed dictionaries as inputs to `evaluate_mpnn` #25

Closed WardLT closed 2 years ago

WardLT commented 2 years ago

Turns out parsing SMILES strings is slower than running the MPNN

WardLT commented 2 years ago

Done