Andrew S. Rosen
Andrew S. Rosen
As shown [here](https://materialsproject.org/materials/mp-2103), the fractional oxidate state of Au^{0.33-} is incorrectly/confusingly displayed in text form as Au^{+0.33-}. A rare edge-case, admittedly.
It's a completely minor, trivial (mostly cosmetic) issue, but I'd like to remove the requirement to call `python set_paths.py` prior to install.
Currently, there's a lot of Open Babel output that clogs up the stdout. It would be smart to add a verbosity flag to allow the user to suppress these messages.
Hey Kevin, I'm trying to install `mofdscribe` and all the dependencies. I'm having some trouble installing `molecule-tda`. I cloned the repo and `pip install .`'d it and got back the...
I like how the `QMOF` dataset has a variety of subsets. I think a useful one to add for the MOF community would be a subset that is porous (or...
This is to kick off a discussion on how to best handle the QMOF data and how to store the QMOF data all in one place. Currently, data is being...
Are you aiming to maintain compatibility for Windows users? If so, it could be worth considering making `raspa2` and `zeopp-lsmo` optional dependencies since they are presumably only needed for specific...
Every time a new commit is made, the GitHub action runs the unit test with a brand new miniconda installation. This turns a series of tests that should take ~1...
https://github.com/argonne-lcf/balsam https://github.com/materialsproject/jobflow https://github.com/spotify/luigi https://github.com/glotzerlab/signac