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| eUNBmbdB9w / software / pipeline / qm-mm / database_tools |
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| 216 Thu Jun 26 14:34:26 2025 | __init__.py | |||||
| 8686 Thu Jun 26 14:34:25 2025 | active_learning_structure_preparation.py | |||||
| 17624 Thu Jun 26 14:34:22 2025 | calculation_set_up.py | |||||
| 3457 Thu Jun 26 14:34:26 2025 | charges_from_force_field.py | |||||
| 11353 Thu Jun 26 14:34:22 2025 | configuration.py | |||||
| 5169 Thu Jun 26 14:34:26 2025 | create_qm_region_union.py | |||||
| 1457 Thu Jun 26 14:34:26 2025 | get_element_types.py | |||||
| 11058 Thu Jun 26 14:34:21 2025 | io.py | |||||
| 4096 Thu Jun 26 14:34:25 2025 | scripts | |||||
| 7572 Thu Jun 26 14:34:22 2025 | shift_qm_to_box_center.py | |||||
| 4096 Thu Jun 26 14:34:21 2025 | tests | |||||
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