Ecosyste.ms: Issues

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GitHub / sparks-baird/xtal2png issues and pull requests

#63 - Can we run generated structures through CheckCIF in a programmatic way?

Issue - State: open - Opened by sgbaird over 2 years ago - 4 comments
Labels: notion-of-best

#61 - [FEATURE REQUEST] allow passing of RGB PIL images to `xc.png2xtal`

Issue - State: closed - Opened by sgbaird over 2 years ago - 1 comment
Labels: enhancement

#51 - Matbench task model accuracy for tabular data: e.g. lattice parameters, space group, and unit cell volume

Issue - State: open - Opened by sgbaird over 2 years ago - 13 comments
Labels: manuscript-enhancements

#50 - Matbench task model accuracy for `xtal2png` representation

Issue - State: open - Opened by sgbaird over 2 years ago - 4 comments
Labels: manuscript-enhancements

#41 - Should we use the cubed root of the volume instead of the volume?

Issue - State: closed - Opened by sgbaird over 2 years ago - 1 comment
Labels: hyperparameter

#13 - Consider having certain feature ranges as tunable parameters

Issue - State: closed - Opened by sgbaird over 2 years ago - 3 comments
Labels: hyperparameter

#12 - What is our notion of best-fit for generation, prediction, and relaxation?

Issue - State: open - Opened by sgbaird over 2 years ago - 8 comments
Labels: notion-of-best

#11 - Maybe use `get_sites_in_sphere` to calculate pairwise distance matrix, so always 52 sites

Issue - State: open - Opened by sgbaird over 2 years ago - 2 comments
Labels: hyperparameter

#10 - Check whether generated structures are affine matches of structures in the training data

Issue - State: closed - Opened by sgbaird over 2 years ago - 3 comments
Labels: notion-of-best