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Visualization as jupyter widget with dict input #407

@awvwgk

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@awvwgk

Currently for using the Jupyter widget via chemiscope.show requires an ASE Atoms object, in case those are not available the only alternative seems chemiscope.show_input which does only take a filepath. This makes it somewhat inconvenient to create the Jupyter widget when ASE is not used, because the chemiscope input needs to be serialized and written to disk before.

Example: https://tblite--257.org.readthedocs.build/en/257/tutorial/python/geometry.html#visualization

It would be great to either:

  • pass a file descriptor or input stream to chemiscope.show_input
  • pass a dict in chemiscope input schema to chemiscope.show

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