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Use something similar to Xie's decoder/denoiser architecture for the xtal2png representation (e.g. m3gnet)

Status: Open.

#217 In sparks-baird/xtal2png;

· sgbaird opened on Jul 12, 2023

Predict synthesis routes for DFT-validated xtal2png structures

Status: Open.

#216 In sparks-baird/xtal2png;

· sgbaird opened on Jul 12, 2023

add masking to intro tutorial

Status: Open.

#214 In sparks-baird/xtal2png;

· sgbaird opened on Jul 1, 2023

lower_tri mask type zeros out everything

Status: Open.

#211 In sparks-baird/xtal2png;

· sgbaird opened on Jul 1, 2023

local variable 'arr' referenced before assignment due to list of lists

bugSomething isn't workingSomething isn't working

Status: Open.

#206 In sparks-baird/xtal2png;

· sgbaird opened on Oct 8, 2022

use <code>xtal2png</code> with <code>imagen-pytorch</code> and <code>matbench-genmetrics</code>

Status: Open.

#204 In sparks-baird/xtal2png;

· sgbaird opened on Aug 20, 2022

Might be interesting to add GitHub action for repo-visualizer, and include the image in the contributing docs

Status: Open.

#202 In sparks-baird/xtal2png;

· sgbaird opened on Aug 5, 2022

Generalization to building blocks rather than only atoms

enhancementNew feature or requestNew feature or request

Status: Open.

#200 In sparks-baird/xtal2png;

· sgbaird opened on Jul 29, 2022

Are the distance matrices periodic by default?

questionFurther information is requestedFurther information is requested

Status: Open.

#198 In sparks-baird/xtal2png;

· sgbaird opened on Jul 29, 2022

interpretability of models trained on xtal2png

manuscript-enhancementsInteresting things to explore that can enhance the manuscriptInteresting things to explore that can enhance the manuscript

Status: Open.

#190 In sparks-baird/xtal2png;

· kjappelbaum opened on Jul 27, 2022

Add hardcoded reference image test once API is stable (i.e. in conjunction with results manuscript, <code>v1.0.0</code>)

enhancementNew feature or requestNew feature or request

Status: Open.

#162 In sparks-baird/xtal2png;

· sgbaird opened on Jul 8, 2022

Consider making <code>mod_pettifor</code> the default elemental scale

Status: Open.

#142 In sparks-baird/xtal2png;

· sgbaird opened on Jun 29, 2022