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OpenFF Standards

This repository aims to store and document the various standards employed across the Open Force Field Consortium. These standards encompass both the specification of core data models and formats, such as the SMIRNOFF specification, as well as standard operating procedures such as those detailing how OpenFF curated QC data sets are to be submitted to the QCArchive.

Work In Progress

This repository and the documents it contains are still in a heavily work in progress, draft state and are subject to rapid and significant changes.

Commands

  • pip install -r requirements.txt - Install mkdocs and other necessary packages
  • mkdocs serve - Start the live-reloading docs server.
  • mkdocs build - Build the documentation site.