chemiscope
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lab-cosmo
An interactive structure/property explorer for materials and molecules
It would be nice to be able to hide/grey out points in the map by selecting a given symbol/clicking on it on the legend. This could be implemented in such...
When in atom mode, it would be good to highlight on the map other points pertaining to the same structure as the currently selected atom. A good way to do...
Instead of displaying the full dataset in the map all the time, we could give the user the ability to filter which points to show based on the property values...
Instead, we provide functions to decide what properties one wants to extract Code like this ```py chemiscope.input( frames=my_frames, properties=my_properties, ... ) # only frame properties chemiscope.input( frames=my_frames, ... ) ```...
Hi! I'm trying to use chemiscope to visualise a PCA map created by ASAP, using per-atom environments. I created the attached file with ASAP, it's an XYZ because the direct...
This comes out of a discussion with @felixmusil. If someone is trying to visualize very large structures, the data might fail to load since it will overflow the maximal allowed...
Traitlet-based synchronization of the selected structure. Facilitates interaction with other ipywidgets. We should also use this to Fix #244 for good.
This is particularly problematic with "heavy" datasets, with large structures, atom colors, and/or shapes. It looks like when a structure is loaded some functions like `_addShapes` and `_updateColorBar` get called...
Hello, It would be great if an option to take the log of the data for the coloring of data points is available within Chemiscope. Currently, it seems that the...
For very large datasets it would be nice to have the option of replacing the scatter plot with a density heatmap. I'm imagining loading a random structure from each "bin"...
