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openforcefield / openff-toolkit

The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation available at http://open-forcefield-toolkit.readthedocs.io
http://openforcefield.org
MIT License
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Render examples without an OpenEye license #1671

Closed mattwthompson closed 1 year ago

mattwthompson commented 1 year ago

All of the notebooks tracked in the repo were run with access to OpenEye, which most of our users don't also have. This leads to some reasonable confusion (#1668). For context, the centralized examples are currently rendered without OpenEye.

This also uncovered a couple of cobwebs, like some deprecation warnings that are no longer relevant, with some of these notebooks not run for a couple of years.

This would also be a good time to switch notebooks over to Sage 2.1.0 - I'm just opening this as-is to keep it a bit smaller.

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codecov[bot] commented 1 year ago

Codecov Report

Merging #1671 (36dbcfb) into main (e87add9) will increase coverage by 0.01%. Report is 4 commits behind head on main. The diff coverage is n/a.

:exclamation: Current head 36dbcfb differs from pull request most recent head 366d4fb. Consider uploading reports for the commit 366d4fb to get more accurate results

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