Alex Dunn

Results 115 comments of Alex Dunn

Hey @janosh thanks for finding this! Something must have gone wrong in the upload script for the perovskites. I'm pinging @tschaume in case he has an easy way to fix...

An update to this thread that @rkingsbury 's datasets and @janosh suggestion for a new version of Ricci et. al.'s Boltztrap dataset has been added to matminer. The typo @janosh...

@sgbaird great! We should include this on matminer first as a full-fleshed dataset.

> It's probably not pragmatic to add every single dataset, but there may be some that would be well-suited for matbench (disclaimer: my research group compiled these datasets together). [anhender/mse_ML_datasets#2](https://github.com/anhender/mse_ML_datasets/issues/2)...

> Ok, good to know! It sounds like the worry isn't so much about having too many datasets contained in matbench and more about keeping them organized/compartmentalized as the number...

Yeah, having matbench integrate with some DFT-in-the-loop option might be nice. But at the same time I am trying to keep it relatively simple while still serving some useful purpose....

tagging @chc273 here based on email thread

Yes that would be great! Especially if you are planning on submitting for multiple tasks! Have you already run the training and benchmarking or is this prospective? Thanks, Alex On...

@PatReis I would suggest submitting an entirely new benchmark, but make it very clear in the long description _why_ a new benchmark was submitted and _what_ the difference is between...

I think this is an excellent idea. Realistically I would want some sort of script to do this version updating automatically (i.e., the cff gets checked and optionally updated every...