Comments (1)
encode_cell_type="reduced"
from xtal2png.
Related Issues (20)
- JOSS paper review - Documentation HOT 3
- `func:` syntax issue in API docs HOT 2
- Add hardcoded reference image test once API is stable (i.e. in conjunction with results manuscript, `v1.0.0`)
- Add `element-coder` to `conda-forge` HOT 4
- Suggestion: Add CLI parameter for `max_sites`
- Bug: `xtal2png` error with fractional occupancy HOT 1
- JOSS paper review - Installation docs HOT 8
- JOSS paper review - Docs
- interpretability of models trained on xtal2png HOT 3
- Any acknowledgements that need to be added to `paper.md`? HOT 6
- Are the distance matrices periodic by default? HOT 1
- Generalization to building blocks rather than only atoms HOT 1
- Might be interesting to add GitHub action for repo-visualizer, and include the image in the contributing docs
- use `xtal2png` with `imagen-pytorch` and `matbench-genmetrics` HOT 6
- local variable 'arr' referenced before assignment due to list of lists
- Run matbench-genmetrics on the latest imagen-pytorch run (fixup mod-petti featurizer) HOT 1
- lower_tri mask type zeros out everything
- add masking to intro tutorial
- Predict synthesis routes for DFT-validated xtal2png structures
- Use something similar to Xie's decoder/denoiser architecture for the xtal2png representation (e.g. m3gnet)
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from xtal2png.