Large Open Access Datasets for Atomistic Materials Science (LOAD-AtoMS)
Project description
[!WARNING] This project is under active development. Until version 1.0.0 is released, breaking changes to the API may occur with no notice.
A lightweight python package for recording and analysing configurations and results of coding experiments.
load-atoms
is a Python package for Loading Open Access Datasets for Atomistic Materials Science (LOAD-AtoMS).
See the documentation for more information.
Installation
pip install load-atoms
Usage
>>> from load_atoms import load_dataset
>>> dataset = load_dataset("C-GAP-17")
Downloading C-GAP-17.extxyz | ███████████████████████ | 100.0%
The C-GAP-17 dataset is covered by the CC BY-NC-SA 4.0 license.
Please cite the C-GAP-17 dataset if you use it in your work.
For more information about the C-GAP-17 dataset, visit
https://jla-gardner.github.io/load-atoms/datasets/C-GAP-17.html.
Development
Please see the contributing guidelines for information on how to contribute to the project.
Project details
Release history Release notifications | RSS feed
Download files
Download the file for your platform. If you're not sure which to choose, learn more about installing packages.
Source Distribution
load-atoms-0.2.2.tar.gz
(22.6 kB
view hashes)
Built Distribution
load_atoms-0.2.2-py3-none-any.whl
(22.4 kB
view hashes)
Close
Hashes for load_atoms-0.2.2-py3-none-any.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | 82eade250ff85efb36812c84492a9c133f9150665b9ee6a74fd8ca00eaa8e136 |
|
MD5 | 5be333d0ac7831375795fccfea3af62f |
|
BLAKE2b-256 | 0af852bb7bf56a0e0b5f0a1261ec895f7c90dd56d55a183867c83d7b7a6ef870 |