load-atoms 0.1.5

Large 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.

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("QM7")
Downloading QM7.extxyz | ███████████████████████ | 100.0% 
Please cite the QM7 dataset if you use it in your work.

Development

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