Andrew S. Rosen

Thanks! I still got the error below. I'm using the Windows Subsystem for Linux rather than "real" Linux, so that may be a root cause of the problem (it's Ubuntu...

Success! The key was `sudo apt-get install libcgal-dev`.

Yes, close!

In principle, yes -- always up for clearer data. In practice, I'm trying not to touch the QMOF data (outside of what's needed for `mofdscribe`) too much until I finish...

`StructureMatcher` is definitely one approach. I see that as kind of like the opposite extreme of the structure graphs. It's a really strict definition of duplicate. Certainly, if two materials...

> And the issue with violation of independence can be nicely seen here. Many overlapping scaffolds for the BW database (in 20k structures, there are only 1584 unique undecorated scaffolds)....

Sweet. Yeah, there are multiple routes here, each with pros and cons. It might be useful to have a more detailed convo now that I know how the code is...

> good point, I'd prefer this over having a separate MPContribs. I guess I misunderstood you following our chat. Nope, you're good! As I learned more about what the project...

Alright, in the short-term here is what I propose to do on my end: I can work on getting the new data you've generated on MPContribs in the main [QMOF...

I see. These are all important considerations! I think trying to make the experience as seamless for users as possible should be the priority. The less time people spend on...