/tools/qca-dataset-submission
qca-dataset-submission
openforcefield/qca-dataset-submission
36 stars6 forksJupyter NotebookAdded February 5, 2026
summary
The qca-dataset-submission repository contains scripts for generating and submitting datasets to the QCArchive, facilitating the lifecycle of molecular data submissions. It supports the creation of datasets that can be used for various molecular property predictions and computational chemistry tasks.
description
Data generation and submission scripts for the QCArchive ecosystem.
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