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

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  • License: MIT License (MIT License Copyright (c) 2023 John Gardner Permission is hereby granted, free of charge, to any p...)
  • Author: John Gardner
  • Tags chemistry, machine learning, datasets
  • Requires: Python >=3.7
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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.

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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.

Project details

Verified details

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Maintainers
Avatar for jla-gardner from gravatar.com jla-gardner

Unverified details

These details have not been verified by PyPI
Project links
Meta
  • License: MIT License (MIT License Copyright (c) 2023 John Gardner Permission is hereby granted, free of charge, to any p...)
  • Author: John Gardner
  • Tags chemistry, machine learning, datasets
  • Requires: Python >=3.7
Classifiers

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