Chris Iacovella

> From @jchodera > > > There are apparently some additional issues with the object model such that datasets beyond `OptimizationDataset` are not supported Yes. the `get_graph` function in the...

> @chrisiacovella I remember when fetching the results from the `SinglepointDataset` that uses b3lyp-d3bj (openff default level of theory), you needed to combine the results from the DFT and the...

Yes, that is the package I had used for my persistent caching of the records I downloaded. It worked well and really simplified access since I am not very experienced...

Excellent. I will check it out and report back.

I've been testing this out. So far so good. A few small notes. This line: https://github.com/MolSSI/QCFractal/blob/8dc5342ebad4d56301cb807d51500323b3e1cd9c/qcportal/qcportal/client.py#L147 I think this line needs to be modified to be: ``` self.cache = PortalCache(self.address,...

Pinning to the old version is probably the best immediate fix (as syntax has completely changed, for the better, in the newest version). I'm currently working on putting essentially the...