Evan Walter Clark Spotte-Smith, PhD
Evan Walter Clark Spotte-Smith, PhD
Pinging @ptmerz again.
Yo @mbarzegary, 2 of 3 reviewers have approved the manuscript. You can also verify that we've addressed the comments of @ptmerz. Is it possible to move this review forward?
So several tasks _not_ related to graph hashes and Q-Chem docs failed. @samblau I think one of them is related to the fragmenter. Any ideas?
## Review checklist for @espottesmith ### Conflict of interest - [x] I confirm that I have read the [JOSS conflict of interest (COI) policy](https://github.com/openjournals/joss/blob/master/COI.md) and that: I have no COIs...
I've gone through the paper, the documentation, and the code/examples. As a supplement to the checklist that I've filled out above, here are my (scattered) thoughts about this work as...
Hey @kbspooner. Appreciate the time you put into your response: For the matplotlib issue, this is the specific error that I get (just confirmed that I'm still getting this issue...
We never really used double-opt for any of the datasets that we developed (LIBE, MADEIRA, now radQM9), but that doesn't mean that it's useless. Certainly in the literature folks do...
Yeah, there's a larger discussion here that's worth having, somewhere other than GitHub PR comments. I will say that I'm not advocating that atomate2 and QuAcc need to coordinate with...
Hey @PythonFZ @anjohan @mitwood - checking in. Have you been able to take a look at the codebase/paper?