Logan Ward
Logan Ward
Also give an idea on the level of detail I expect
It looks like the one in the bounds dictionary is set by the UI. Presumably that'll be the one that takes precedent.
Wait, the parameter in `Uncertainty` doesn't seem to be used. Could we just get rid of it? 🤞🏼
Hey Rob! No problem for the delay, I've been able to make notable progress on running Frhodo. I'm currently scrambling before I travel (to Argonne!), and will update you on...
Wrt to this issue. I can get Frhodo to run if I optimize different parameters than those listed in the tutorial document.
I found a problem with the ASE calculator in torchani where it did not clear out results from the previous calculation when evaluating a new structure, which could explain the...
There have been a [few](https://link.aps.org/doi/10.1103/PhysRevLett.120.145301) [papers](http://aip.scitation.org/doi/10.1063/1.5019779) that have reported excellent performance with deep learning models with datasets of about 60k entries. That said, I wouldn't argue that such a large...
Thanks for pointing this out! I haven't learned Pydantic v2 yet and haven't encountered an environment problem due to pinning, but know it is coming 😬
Another common pattern could specify logging and visualization tools. (We could bring this home from the 'reporters' in ExaMol)
An idea on implementation that will also open up #119 : Do not subclass Process but, instead, provide a `start_server` method which takes a queue as an argument. This will...