Guillaume Fraux

Results 464 comments of Guillaume Fraux

> as for the eslint / prettier, I'm running eslint on my end and prettier, but it still fails in test. Is there a new style file that has to...

> and brought to front in the z-index. This is not easy since we are not using HTML to render the graph but WebGL (which is why we are able...

We now have an example since #166 (https://github.com/lab-cosmo/chemiscope/blob/83f9929b2d226383fcf57bd1173546033e50fba5/python/examples/molecular_map.py), we only need to display it properly in the documentation

I remember that there where some other issues with transparency in 3D with plotly (related to depth buffer & points appearing on top of others), but we can check if...

Hi Johannes! Greetings to you as well! The easiest way to include PBC in the local environments is to replicate the cell (set supercell to 3x3x3) in the structure viewer...

So there are a couple of extra step between the cutoff missing & this error message. This is how the things usually go: ``` # python convert properties to JSON...

One idea that I had while typing this wall of text would be to add an **online**, **graphical** input editor to chemiscope, either as part of the default visualizer, or...

Potential API improvement for `chemiscope.create_input`: ```py from chemiscope import create_input data = create_input( frames = frames, properties = { "PCA": np.array(), # automatically guess target "something else": {"target": "atom", "values":...

Agreed! I'm opening the issue to keep track of it. With a bit more research, it looks like we need to have secondary structure assignment for atoms (i.e. is this...

This would require a bit of work to (1) get the color associated with the value of the property, through Plotly (we don't really want to re-implement color interpolation from...