Metadata-Version: 2.4
Name: ChemicalDice
Version: 1.0.0
Summary: A dynamic, high-performance cheminformatics framework integrating 6 distinct molecular embeddings into a robust unified latent representation.
Author: ChemicalDice Team
Author-email: ChemicalDice Team <author@example.com>
License: MIT
Classifier: Programming Language :: Python :: 3
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: OS Independent
Classifier: Intended Audience :: Science/Research
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Topic :: Scientific/Engineering :: Bio-Informatics
Requires-Python: >=3.8
Description-Content-Type: text/markdown
License-File: LICENSE
Requires-Dist: numpy>=1.20.3
Requires-Dist: pandas>=1.4.3
Requires-Dist: tqdm>=4.65
Requires-Dist: requests>=2.32.4
Requires-Dist: rdkit>=2022.3.1
Requires-Dist: scikit-learn>=1.2.2
Requires-Dist: xgboost>=2.0.0
Requires-Dist: lightgbm>=4.0.0
Provides-Extra: training
Requires-Dist: torch>=2.2.1; extra == "training"
Requires-Dist: h5py>=3.13.0; extra == "training"
Requires-Dist: huggingface-hub>=0.20.0; extra == "training"
Provides-Extra: deployment
Requires-Dist: fastapi>=0.100.0; extra == "deployment"
Requires-Dist: uvicorn>=0.20.0; extra == "deployment"
Requires-Dist: pydantic>=2.0.0; extra == "deployment"
Requires-Dist: torch>=2.2.1; extra == "deployment"
Requires-Dist: huggingface-hub>=0.20.0; extra == "deployment"
Provides-Extra: descriptors
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Requires-Dist: multitasking==0.0.11; extra == "descriptors"
Requires-Dist: psutil>=6.0.0; extra == "descriptors"
Provides-Extra: all
Requires-Dist: ChemicalDice[deployment,descriptors,training]; extra == "all"
Dynamic: author
Dynamic: license-file
