Update RF predictions and minor fixes

TRI-AMDD / htp_md

Shared repo for trajectory analysis and infrastructure development

MIT License

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Update RF predictions and minor fixes #56

Closed HakyungKwon-TRI closed 2 years ago

HakyungKwon-TRI commented 2 years ago

This PR:

Updates RF predictions for conductivity and diffusivity values (log10), but not transference number
Removes molality predictions from all ML predictions
Removes duplicate test_data and consolidates into a single test_data folder
Moves README.md to the top level directory

HakyungKwon-TRI commented 2 years ago

This is the last version of the analysis (0.2.4) that will be performed on the data prior to publication, so please make sure that the code is clean and that the data/analysis are correct.

Unfortunately @shenggong1996 merged this before any review could be done, but please continue to review this PR here and I can push necessary edits to the revert PR that I have open.

HakyungKwon-TRI commented 2 years ago

@txie-93 @arthurfl do you have any comments? Otherwise I will close the PR tomorrow morning ET.