kYangLi/DeepH-dock
DeepH-dock seamlessly integrates deep learning with first-principles calculations. It serves as a modular and extensible bridge, functioning both as the dedicated interface for the DeepH-pack suite and as a standalone tool for coupling deep learning models with computational materials science workflows.
Stars
29
Forks
2
Language
Python
License
GPL-3.0
Category
Last pushed
Mar 09, 2026
Commits (30d)
0
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