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openforcefield / nistdataselection

Records the tools and decisions used to select NIST data for curation.
MIT License
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Add Utility for Rendering Lists of SMILES #24

Closed SimonBoothroyd closed 4 years ago

SimonBoothroyd commented 4 years ago

Description

This PR adds a new smiles_to_pdf utility function which renders a set of molecules described by their SMILES patterns as a PDF file.

Status