Metadata-Version: 2.4
Name: pyrite_chem
Version: 0.1.1
Summary: Pyrite: utilities for molecular docking
Project-URL: Homepage, https://github.com/tcobanoglu/Pyrite
Author: Daan_Geerke_Lab
License: Copyright (c) 2025 Mart Johanan van der Lugt, David Alonzo Poole III
        
        Permission is hereby granted, free of charge, to any person obtaining a copy
        of this software and associated documentation files (the “Software”), to use,
        copy, modify, and distribute the Software for academic, research, and other
        non-commercial purposes only, subject to the following conditions:
        
        1. The above copyright notice and this permission notice shall be included in
           all copies or substantial portions of the Software.
        
        2. **Non-Commercial Use Only:**  
           Use of the Software for commercial purposes, including but not limited to
           incorporation into commercial products or services, or provision of services
           to third parties using the Software, is strictly prohibited without a separate
           commercial license agreement. For commercial licensing inquiries, contact:
           david@poolelab.com
        
        3. **Distribution of Modified Versions:**  
           If you modify or extend the Software and distribute the modified version to
           others, you must make the source code of your modifications publicly available
           under the same terms as this license.
        
        4. **No Warranty:**  
           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
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        For commercial licensing, please contact: david@poolelab.com
License-File: LICENSE
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: OS Independent
Classifier: Programming Language :: Python :: 3
Requires-Python: >=3.9
Requires-Dist: ipython>=8.0
Requires-Dist: ipywidgets>=8.0
Requires-Dist: numpy>=1.25
Requires-Dist: pillow>=9.0
Requires-Dist: py3dmol>=2.0
Requires-Dist: rdkit>=2023.9
Requires-Dist: scipy>=1.10
Provides-Extra: notebook
Requires-Dist: ipython>=7.0; extra == 'notebook'
Requires-Dist: ipywidgets<8.0,>=7.0; extra == 'notebook'
Description-Content-Type: text/markdown

# Pyrite