Lee-Ping Wang

I'd like to chime in and add that I greatly miss ITK widgets in JupyterLab 3.x. I had an online notebook for visualizing hydrogen orbitals that is greatly helpful for...

Hi there, I'd just like to chime in with an issue I reported over at pyvista: https://github.com/pyvista/pyvista/issues/714 I created a notebook to visualize isosurfaces (https://mybinder.org/v2/gh/leeping/hydrogen-orbitals/master) but there seems to be...

Thank you, @thewtex . I also tried to use solid colors for this application because the isosurfaces do not require the full range of the colormap, but when I added...

Thank you @thewtex - because I install my packages using conda, I might wait until it is released to test everything works locally and on Binder. - Lee-Ping

Hello there, I'm revisiting this issue as I'm teaching the same course material again. I'm now using version 0.32.0 of itkwidgets. > pl.show(True) # Viewer does not appear. This issue...

I think it has something to do with the initial molecular geometry. After I minimized the (incorrectly charged) protein and ran it through PDBFixer again, it correctly added 15 positive...

I'm noticing this issue as well. It's important to have a vector graphics export format that works for Microsoft Office apps. I'm trying to use this program as an alternative...

A set of configurations with the same atomic symbols / charge / multiplicity / method is a common kind of calculation; it's also a convenient unit of data to include...

I think multiple job spec documents could serve the same role, similar to how a stack of looseleaf pages can play a similar role as a book. It's mainly a...

I certainly understand @loriab 's concern that a single conformation makes the most sense as a single unit of computation. On the other hand, an array of single-point calculations (sharing...