MaterialsInformatics

MaterialsInformatics copied to clipboard

Not one that was covered before IIRC: - https://distill.pub/2020/bayesian-optimization/

sgbaird

sgbaird

Says conductivity > (b) task 2. Using a support vector machine classifier and the composition-based feature vector (magpie descriptor set), construct a model that will categorize materials as metals or...

sgbaird

For next time, might be good to have students have an apples-to-apples comparison to see how much worse the results are when group-CV is used.

sgbaird

Problem 1 --------- - when you have variables in the chemical formula, pay extra attention to which formulas correspond to which values of x. For example, in some plots, `x=0...

sgbaird

Suggestion for hw 1, pb 1 next time course is taught: use of Zotero shared group folder and shared annotations for literature extraction

1

To help with making the literature data extraction FAIR, going with a Zotero group library where PDF files, annotations, etc. are shared between group members can help out by: 1....

sgbaird

See [groupby_formula](https://github.com/sparks-baird/mat_discover/blob/a0f0a1d000749355b7854d3d499b3cba7dc3d6a0/mat_discover/utils/data.py#L8-L32) and https://stackoverflow.com/a/49216427/13697228

sgbaird