Metadata-Version: 2.4
Name: molcore-chem
Version: 0.4.0
Requires-Dist: torch>=2.2
Requires-Dist: numpy>=1.26
Requires-Dist: rdkit>=2023.9
Requires-Dist: torch-geometric>=2.5
Requires-Dist: molcore[pandas,optuna,pretrained,bio] ; extra == 'all'
Requires-Dist: transformers>=4.30 ; extra == 'bio'
Requires-Dist: sentencepiece>=0.1.99 ; extra == 'bio'
Requires-Dist: pytdc>=0.4.1 ; extra == 'bio'
Requires-Dist: scikit-learn>=1.3 ; extra == 'bio'
Requires-Dist: pandas>=2.0 ; extra == 'bio'
Requires-Dist: maturin ; extra == 'dev'
Requires-Dist: pytest ; extra == 'dev'
Requires-Dist: pytest-benchmark ; extra == 'dev'
Requires-Dist: pandas>=2.0 ; extra == 'dev'
Requires-Dist: nbformat>=5.0 ; extra == 'dev'
Requires-Dist: optuna>=3.0 ; extra == 'dev'
Requires-Dist: optuna>=3.0 ; extra == 'optuna'
Requires-Dist: pandas>=2.0 ; extra == 'pandas'
Requires-Dist: molfeat>=0.9 ; extra == 'pretrained'
Requires-Dist: datamol>=0.12 ; extra == 'pretrained'
Provides-Extra: all
Provides-Extra: bio
Provides-Extra: dev
Provides-Extra: optuna
Provides-Extra: pandas
Provides-Extra: pretrained
License-File: LICENSE
Summary: AI-native cheminformatics: Rust core + RDKit bridge + Python AI API
Requires-Python: >=3.11
