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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
144 stars 47 forks source link

Added example notebook for accessing singlepoint datasets #703

Closed dotsdl closed 2 years ago

dotsdl commented 2 years ago

Description

Adds a minimal example for how to use singlepoint Datasets in QCPortal.

Changelog description

Added minimal example notebook to docs for how to use singlepoint Datasets in QCPortal.

Status

codecov[bot] commented 2 years ago

Codecov Report

Merging #703 (429cd74) into master (00d9899) will decrease coverage by 0.03%. The diff coverage is n/a.

jchodera commented 2 years ago

This is great! Thanks so much, @dotsdl!