molcraft 0.1.0a1__py3-none-any.whl

molcraft-0.1.0a1.dist-info/METADATA

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+Metadata-Version: 2.4
+Name: molcraft
+Version: 0.1.0a1
+Summary: Graph Neural Networks for Molecular Machine Learning
+Author-email: Alexander Kensert <alexander.kensert@gmail.com>
+License: MIT License
+        
+        Copyright (c) 2025 Alexander Kensert
+        
+        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/akensert/molcraft
+Keywords: python,machine-learning,deep-learning,graph-neural-networks,molecular-machine-learning,molecular-graphs,computational-chemistry,computational-biology
+Classifier: Programming Language :: Python :: 3
+Classifier: Intended Audience :: Science/Research
+Classifier: License :: OSI Approved :: MIT License
+Classifier: Operating System :: POSIX :: Linux
+Requires-Python: >=3.10
+Description-Content-Type: text/markdown
+License-File: LICENSE
+Requires-Dist: tensorflow>=2.16
+Requires-Dist: rdkit>=2023.9.5
+Requires-Dist: pandas>=1.0.3
+Requires-Dist: ipython>=8.12.0
+Provides-Extra: gpu
+Requires-Dist: tensorflow[and-cuda]>=2.16; extra == "gpu"
+Dynamic: license-file
+
+<img src="https://github.com/akensert/molcraft/blob/main/docs/_static/molcraft-logo.png" alt="molcraft-logo">
+
+**Deep Learning on Molecules**: A Minimalistic GNN package for Molecular ML. 
+
+> [!NOTE]  
+> In progress/Unfinished.
+
+## Highlights
+- Compatible with **Keras 3**
+- Simplified API
+- Fast featurization
+- Modular graph **layers**
+- Serializable graph **featurizers** and **models**
+- Flexible **GraphTensor**

molcraft-0.1.0a1.dist-info/RECORD

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molcraft-0.1.0a1.dist-info/WHEEL

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+Wheel-Version: 1.0
+Generator: setuptools (78.1.0)
+Root-Is-Purelib: true
+Tag: py3-none-any
+

molcraft-0.1.0a1.dist-info/licenses/LICENSE

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+MIT License
+
+Copyright (c) 2025 Alexander Kensert
+
+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.

molcraft-0.1.0a1.dist-info/top_level.txt

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+molcraft