darkreactions / ESCALATE_report

Transform experimental data into ML ready datasets!
http://escalation.sd2e.org/
MIT License
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Hanson #62

Closed ipendlet closed 4 years ago

ipendlet commented 4 years ago

Closes #33 and Closes #24

ipendlet commented 4 years ago

Adds hansen solubility calcs, preliminary dataset upload from magpie descriptors /mathematica data (for use in atomistic calculations).