Metadata-Version: 2.4
Name: imelt
Version: 2.2.0
Summary: A physics-guided neural network model for the prediction of structural, thermodynamic and dynamic properties of aluminosilicate melts and glasses.
Author-email: Charles Le Losq <lelosq@ipgp.fr>, Barbara Baldoni <lelosq@ipgp.fr>, Andrew Valentine <lelosq@ipgp.fr>
License: MIT License
        
        Copyright (c) 2021-2025 Charles Le Losq, Barbara Baldoni, Andrew Valentine
        
        Permission is hereby granted, free of charge, to any person obtaining a copy
        of this software and associated documentation files (the "Software"), to deal
        in the Software without restriction, including without limitation the rights
        to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
        copies of the Software, and to permit persons to whom the Software is
        furnished to do so, subject to the following conditions:
        
        The above copyright notice and this permission notice shall be included in all
        copies or substantial portions of the Software.
        
        THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
        IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
        FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
        AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
        LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
        OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE
        SOFTWARE.  
        
Project-URL: Homepage, https://github.com/charlesll/i-melt
Project-URL: Documentation, https://i-melt.readthedocs.io/en/latest/
Project-URL: Repository, https://github.com/charlesll/i-melt.git
Project-URL: Bug Tracker, https://github.com/charlesll/i-melt/issues
Project-URL: Changelog, https://github.com/charlesll/i-melt/NEWS.md
Keywords: properties,raman,liquid,glass,magma,aluminosilicate
Classifier: Development Status :: 5 - Production/Stable
Classifier: Programming Language :: Python
Requires-Python: >=3.10
Description-Content-Type: text/markdown
License-File: LICENSE
Requires-Dist: matplotlib
Requires-Dist: numpy
Requires-Dist: scipy
Requires-Dist: rampy
Requires-Dist: h5py
Requires-Dist: torch
Requires-Dist: scikit-learn
Requires-Dist: pandas
Requires-Dist: openpyxl
Dynamic: license-file

# i-Melt

[![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.5342177.svg)](https://doi.org/10.5281/zenodo.5342177)![GitHub](https://img.shields.io/github/license/charlesll/i-melt)

i-Melt is a physics-guided neural network model, that combines deep neural networks with physical equations to predict the structural, thermodynamic and dynamic properties of aluminosilicate melts and glasses.

- **Web app** https://i-melt.streamlit.app/
- **Documentation (in progress)** https://i-melt.readthedocs.io/en/latest/
- **Source code:** https://github.com/charlesll/i-melt/tree/main/i-melt/src/
- **License:** https://github.com/charlesll/i-melt/LICENSE
- **References:** https://i-melt.readthedocs.io/en/latest/references.html
- **Bug reports:** https://github.com/charlesll/i-melt/issues
- **Contact** lelosq@ipgp.fr

## Software Contributors

Charles Le Losq, University Paris Cité, Institut de physique du globe de Paris, lelosq@ipgp.fr

Barbara Baldoni, University Paris Cité, Institut de physique du globe de Paris, baldoni@ipgp.fr

Andrew P. Valentine, Durham University, andrew.valentine@durham.ac.uk
