load-atoms 0.0.16

Large Open Access Datasets for Atomistic Materials Science (LOAD-AtoMS)

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load-atoms is a Python package for Loading Open Access DAtasets for Atomistic Materials Science (LOAD-ATOMS).

[!WARNING] This project is under active development. Until version 1.0.0 is released, breaking changes to the API may occur with no notice.

Installation

pip install load-atoms

Usage

>>> from load_atoms import dataset
>>> structures = dataset("C-GAP-17")
Downloading C-GAP-17.extxyz
100.0% | ██████████████████████████████████████████████████
This dataset is covered by the CC BY-NC-SA 4.0 license.
Please cite this dataset if you use it in your work.
For more information about this dataset, see here:
https://jla-gardner.github.io/load-atoms/datasets/C-GAP-17.html

Documentation

For more information, see the documentation.

Development

Please see the contributing guidelines for information on how to contribute to the project.