Alex Dunn

Results 115 comments of Alex Dunn

@janosh Yes please! Just open a PR and then make sure the box that says "allow edits from maintainers" etc. is checked and I think I should be able to...

> * Definitely a dark mode guy here too! 😄 Should be easy to get plots without bg color. Ok great! i think we should invert the title text as...

> Any objections to `numba` as a dependency (@ardunn for `matbench` and @janosh for `pymatviz`)? If so, that's fine, especially for Matbench based on the constraints @ardunn mentioned. @janosh if...

That option seems pretty attactive. We could just keep it with the other matbench metadata and it would have about the same frequency of updates as that metadata (i.e., infrequently)....

> @CompRhys thanks for getting back on this. Nice paper! Very timely read for me. I like the idea of that benchmark, and I think you bring up a good...

Note to self: caused by matminer downloading datasets from figshare and likely CI IP being blocked/rate limited or some other CI-specific nonsense; can likely be fixed by trying download and...

@CompRhys @janosh this is great you noticed this! Could you paste in the matbench-ids where this is the case? I believe they were checked but I may have missed some...

> The point about minimum radius to ensure that there are no isolated atoms still stands. There are some problematic examples from MP that could potentially be in the MB...

@janosh you are right! Thanks for noticing. I think 2.5eV was needed to remove the ~1500 1-D misconverged half-heuslers in MP at the time of collection. I think it has...

Also, an update to this thread as @rkingsbury has cleaned and created a nice `expt_formation_enthalpy` dataset with corresponding MPIDs (i.e., `source ids`) cross-referenced from ICSD's experimental DB and corroborated with...