Add MODAC API Client + Example Docs

ATOMScience-org / AMPL

The ATOM Modeling PipeLine (AMPL) is an open-source, modular, extensible software pipeline for building and sharing models to advance in silico drug discovery.

MIT License

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Add MODAC API Client + Example Docs #361

Closed Kartstig closed 1 month ago

Kartstig commented 1 month ago

Fixes https://github.com/mass-matrix/AMPL/issues/64

This adds a feature I developed while working on pFDA. I used this client to quickly download models to the workstation. I included an example notebook in the same style as the other tutorials. Let me know if there are any other things I should do or documentation I should add. There are tests, and I added them to run in GithubActions

Kartstig commented 1 month ago

@mauvais2 the only issue with merging this into 1.7.0 is that I cannot add my tests from 7f6388a:

The reason is because the GitHub Actions pytest.yml doesn't exist on 1.7.0, so I think you'll probably want to rebase/merge with 1.6.0 after that is released