Openff Qcsubmit | Anaconda.org

conda-forge / packages / openff-qcsubmit 0.54.0

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Automated tools for submitting molecules to QCFractal

copied from cf-staging / openff-qcsubmit

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License: MIT
Home: https://github.com/openforcefield/openff-qcsubmit
Development: https://github.com/openforcefield/openff-qcsubmit
Documentation: https://openff-qcsubmit.readthedocs.io
37466 total downloads
Last upload: 26 days and 13 hours ago

Installers

Info: This package contains files in non-standard labels.

noarch v0.54.0

conda install

To install this package run one of the following:
conda install conda-forge::openff-qcsubmit
conda install conda-forge/label/openff-qcsubmit_rc::openff-qcsubmit

Description

The OpenFF QCSubmit framework aims to facilitate curating and contributing new quantum chemical (QC) datasets to the QCArchive (or any other QCFractal instance), as well as to retrieve already computed datasets.

conda-forge / packages / openff-qcsubmit 0.54.0 0

Installers

conda install

Description

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conda-forge / packages / openff-qcsubmit 0.54.0

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