Metadata-Version: 2.4
Name: BUCToolkit
Version: 1.0b3
Summary: BUCToolkit is a PyTorch-based high-performance AI4Science software package of computational chemistry,
Author: Song Xin
Author-email: Pu Pengxin <buctoolkit@163.com>
License: MIT
Project-URL: Homepage, https://github.com/TrinitroCat/BUCToolkit
Requires-Python: >=3.11
License-File: LICENSE
Requires-Dist: joblib>=1.4.2
Requires-Dist: numpy>=1.26.4
Requires-Dist: PyYAML>=6.0.1
Requires-Dist: torch>=2.4.1
Provides-Extra: dgl
Requires-Dist: dgl; extra == "dgl"
Provides-Extra: pyg
Requires-Dist: torch_geometric>=2.6.1; extra == "pyg"
Provides-Extra: prompt-toolkit
Requires-Dist: prompt-toolkit>=3.0.43; extra == "prompt-toolkit"
Dynamic: license-file
