openfe/docs/tutorials/showcase_notebook.nblink at pin_rdkit - openfe - Gitea: Git with a cup of tea

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Mike Henry e8492ea43c debug script for people to test openmm (#733 )

* debug script for people to test openmm

* Added news entry

* added checking which platforms can do mixed p

* fix typo in debug script

* added how to run script

* point to new showcase

* give full path to assests to avoid copying notebooking into build env

* rerun ci

* fix mypy env

* looks like we still need to pin mypy but can relax python

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Co-authored-by: Irfan Alibay <IAlibay@users.noreply.github.com>

2024-05-06 12:57:29 -07:00

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 {
    "path": "../ExampleNotebooks/showcase/openfe_showcase.ipynb",
    "extra-media": [
       "../ExampleNotebooks/showcase/tyk2.png",
       "../ExampleNotebooks/showcase/openFE_logo3.png",
       "../ExampleNotebooks/showcase/inputs"
    ]
 }