sparks-baird palette-dft-relaxation-surrogate issues

sparks-baird / palette-dft-relaxation-surrogate

Pallete image processing models (e.g. JPEG restoration, inpainting), adapted to act as a surrogate model for density functional theory (DFT) relaxation of crystal structures and structure prediction.

MIT License

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Have you been using primitive or conventional crystal representations?

#7 sgbaird opened 2 years ago
0
What do the directions represent in the crystal representation?

#6 sgbaird opened 2 years ago
4
Explore possibility of using DALLE-2 diffusion models rather than Palette

#5 sgbaird opened 2 years ago
0
set of indices for composition-specific features and set of indices for structure-specific features

#4 sgbaird opened 2 years ago
1
`from_structure` and `to_structure` functions

#3 sgbaird opened 2 years ago
2
Getting started tasks: functions, indices, Palette building blocks, comparisons, and validation

#2 sgbaird opened 2 years ago
3
Figured it was better to get this idea public, so people can say they're already doing it/done, or be aware before starting

#1 sgbaird opened 2 years ago
1

sparks-baird / palette-dft-relaxation-surrogate

issues

Have you been using primitive or conventional crystal representations?

What do the directions represent in the crystal representation?

Explore possibility of using DALLE-2 diffusion models rather than Palette

set of indices for composition-specific features and set of indices for structure-specific features

`from_structure` and `to_structure` functions

Getting started tasks: functions, indices, Palette building blocks, comparisons, and validation

Figured it was better to get this idea public, so people can say they're already doing it/done, or be aware before starting