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MolSSI / QCFractal

A distributed compute and database platform for quantum chemistry.
https://molssi.github.io/QCFractal/
BSD 3-Clause "New" or "Revised" License
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Unable to find requested entry. #662

Closed njzjz closed 12 months ago

njzjz commented 3 years ago

Describe the bug I don't know where to report this bug, maybe here? I cannot fetch ANI-1x dataset from api.qcarchive.molssi.org

To Reproduce

import qcportal as ptl
client = ptl.FractalClient(address="api.qcarchive.molssi.org")
ani1x = client.get_collection("dataset", "ANI-1x")
ani1x.get_values()

RuntimeError: Remote view query failed with error message: Unable to find requested entry.

Expected behavior It should get some values?

Additional context I create a colab notebook to reproduce: https://colab.research.google.com/drive/1bXwwYi8tBn8EA6upnkbTHOOeV3IsnuxD?usp=sharing

bennybp commented 3 years ago

hm this is a little hard to track down. QCFractal is swallowing any helpful error info, rather than printing it to the logs.

I believe this has to do with something I have seen before, where Pandas is returning a list of byte arrays rather than a list of strings for indices. I will see if I can reproduce on a test server

bennybp commented 12 months ago

With 0.50, the dataset interface is now completely different. If you are interested, updated documentation is here: https://molssi.github.io/QCFractal

Let us know if you have any other questions