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remove 3.9 from tox
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ale-mendez committed Aug 27, 2024
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12 changes: 6 additions & 6 deletions README.md
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# ESPNN - Electronic Stopping Power Neural Network

[![License: MIT](https://img.shields.io/badge/License-MIT-yellow.svg)](https://opensource.org/licenses/MIT) [![develstat](https://github.com/ale-mendez/ESPNN/actions/workflows/espnn_ci.yml/badge.svg)](https://github.com/ale-mendez/ESPNN/actions/workflows/espnn_ci.yml/badge.svg) [![codecov](https://codecov.io/gh/ale-mendez/ESPNN/branch/master/graph/badge.svg?token=R49KN0O0I1)](https://codecov.io/gh/ale-mendez/ESPNN) [![Open In Colab](https://colab.research.google.com/assets/colab-badge.svg)](https://colab.research.google.com/drive/1UCDj0XT_4Ex_Mvp1vurleeeDVcjed6vP)
[![License: MIT](https://img.shields.io/badge/License-MIT-yellow.svg)](https://opensource.org/licenses/MIT) [![develstat](https://github.com/ale-mendez/ESPNN/actions/workflows/espnn_ci.yml/badge.svg)](https://github.com/ale-mendez/ESPNN/actions/workflows/espnn_ci.yml/badge.svg) [![codecov](https://codecov.io/gh/ale-mendez/ESPNN/branch/master/graph/badge.svg?token=R49KN0O0I1)](https://codecov.io/gh/ale-mendez/ESPNN) [![Binder](https://mybinder.org/badge_logo.svg)](https://hub.ovh2.mybinder.org/user/ale-mendez-espnn-tiiyobkb/doc/tree/workflow/prediction.ipynb)
<!-- [![Open In Colab](https://colab.research.google.com/assets/colab-badge.svg)](https://colab.research.google.com/drive/1UCDj0XT_4Ex_Mvp1vurleeeDVcjed6vP) -->
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The ESPNN is a python-based deep neural network that allows the user to predict the electronic stopping power cross-section for any ion and target[^1] combinations for a wide range of incident energies. The deep neural network was trained on tens of thousands of curated data points from the [IAEA database](https://www-nds.iaea.org/stopping/). See more details of the ESPNN in this [publication](https://github.com/ale-mendez/ESPNN-doc).
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## Run ESPNN online

The ESPNN package can be used remotely in the <a href="https://colab.research.google.com/drive/1UCDj0XT_4Ex_Mvp1vurleeeDVcjed6vP" target="_blank">Google Colab</a> platform[^3]. There, you'll find a jupyter notebook with a quick tutorial on how to use the ESPNN. You can also make a copy of the notebook to your own personal Drive and compute the stopping power of any projectile-target combination.
The ESPNN package can be used remotely in the <a href="https://hub.ovh2.mybinder.org/user/ale-mendez-espnn-tiiyobkb/doc/tree/workflow/prediction.ipynb" target="_blank">Binder</a> platform. There, you'll find a Jupyter notebook with a quick tutorial on how to use the ESPNN. You can also make a copy of the notebook to your own personal Drive and compute the stopping power of any projectile-target combination.

## Install ESPNN

To use the ESPNN in your computer, first you'll need to install it. We recommend using a python virtual environment to this end (for example, see <a href="https://docs.anaconda.com/anaconda/install/index.html" target="_blank">anaconda</a> or <a href="https://virtualenv.pypa.io/en/stable/installation.html" target="_blank">virtualenv</a>). If you are not familiar with virtual environments and would like to rapidly start using python, follow the <a href="https://docs.anaconda.com/anaconda/install/index.html" target="_blank">anaconda</a> indications according to your operating system:
To use the ESPNN in your computer, first you'll need to install it. ESPNN is currently restricted to python 3.7 and 3.8. We recommend using a python virtual environment to this end (for example, see <a href="https://docs.anaconda.com/anaconda/install/index.html" target="_blank">anaconda</a> or <a href="https://virtualenv.pypa.io/en/stable/installation.html" target="_blank">virtualenv</a>). If you are not familiar with virtual environments and would like to rapidly start using python, follow the <a href="https://docs.anaconda.com/anaconda/install/index.html" target="_blank">anaconda</a> indications according to your operating system:

- <a href="https://docs.anaconda.com/anaconda/install/linux/" target="_blank">Install anaconda in Linux</a>
- <a href="https://docs.anaconda.com/anaconda/install/windows/" target="_blank">Install anaconda in Windows</a>
- <a href="https://docs.anaconda.com/anaconda/install/mac-os/" target="_blank">Install anaconda in macOS</a>

### Using pip

The simplest way to install the ESPNN is via pip. Indistinctively, Ubuntu, Windows and macOS users can install the package by typing in the terminal or the anaconda bash terminal:
The simplest way to install the ESPNN is via pip. Indistinctly, Ubuntu, Windows and macOS users can install the package by typing in the terminal or the anaconda bash terminal:

```console
pip install ESPNN
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The following institutions financially support this work: the Consejo Nacional de Investigaciones Científicas y Técnicas (CONICET) by the PIP-11220200102421CO and the Agencia Nacional de Promoción Científica y Tecnológica (ANPCyT) of Argentina PICT-2020-SERIEA-01931. CCM also acknowledges the financial support of the IAEA.

[^1]: *ESPNN first release considers only mono-atomic targets.*
[^2]: felipebihaiek@gmail.com, alemdz.7@gmail.com
[^3]: *A Google account is required.*
[^2]: felipebihaiek@gmail.com, alemdz.7@gmail.com
12 changes: 6 additions & 6 deletions setup.py
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PATH = pathlib.Path(os.path.abspath(os.path.dirname(__file__)))

REQUIREMENTS = [
"matplotlib==3.5.2",
"matplotlib>=3.5.2",
"numpy>=1.21.6",
"pandas==1.3.5",
"pyvalem==2.5.7",
"torch==1.11.0",
"scikit-learn==0.24.2",
"joblib==1.0.0",
"pandas>=1.3.5",
"pyvalem>=2.5.7",
"torch>=1.11.0",
"scikit-learn>=0.24.2",
"joblib>=1.0.0",
]

with open(PATH / "ESPNN" / "__init__.py") as fp:
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12 changes: 6 additions & 6 deletions tox.ini
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envlist =
py37,
py38,
py39,
; py39,
style,
coverage,
check-manifest
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python =
3.7: py37
3.8: py38
3.9: py39
; 3.9: py39

[py37]
basepython = py37
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commands =
python setup.py sdist

[py39]
basepython = py39
commands =
python setup.py sdist
; [py39]
; basepython = py39
; commands =
; python setup.py sdist

[testenv]
deps =
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