openforcefield / openff-qcsubmit

Automated tools for submitting molecules to QCFractal

https://openff-qcsubmit.readthedocs.io/en/latest/index.html

MIT License

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Fix dataset record queries with nans #187

Closed jthorton closed 2 years ago

jthorton commented 2 years ago

Description

This PR is a simple fix for creating basic dataset results from collections with NaNs, representing records to be computed. See here for a better fix that won't involve qcsubmit doing a second filter.

Status

[X] Ready to go

codecov[bot] commented 2 years ago

Codecov Report

Merging #187 (a1c962b) into main (079095a) will not change coverage. The diff coverage is 100.00%.