Shared Files
| Working directory: |
| eUNBmbdB9w / software / pipeline / qm-mm / database_tools / scripts |
| Info | Select/deselect all files | |||||
| 216 Thu Jun 26 14:34:25 2025 | __init__.py | |||||
| 4566 Thu Jun 26 14:34:24 2025 | active_learning_postprocessing.py | |||||
| 5773 Thu Jun 26 14:34:25 2025 | add_qmqmmm_single_points.py | |||||
| 1920 Thu Jun 26 14:34:23 2025 | annotated_structure_with_qm_region.py | |||||
| 1846 Thu Jun 26 14:34:23 2025 | check_forces.py | |||||
| 5493 Thu Jun 26 14:34:23 2025 | clean_up_database.py | |||||
| 8594 Thu Jun 26 14:34:25 2025 | dump_properties.py | |||||
| 1174 Thu Jun 26 14:34:23 2025 | error_report.py | |||||
| 1422 Thu Jun 26 14:34:24 2025 | modify_structures.py | |||||
| 1767 Thu Jun 26 14:34:24 2025 | monitor_database.py | |||||
| 2268 Thu Jun 26 14:34:22 2025 | qm_region_selection.py | |||||
| 1499 Thu Jun 26 14:34:22 2025 | reset_pending_calculations.py | |||||
| 2693 Thu Jun 26 14:34:23 2025 | single_points.py | |||||
| 1459 Thu Jun 26 14:34:24 2025 | timings.py | |||||
| 1689 Thu Jun 26 14:34:25 2025 | transfer_database.py | |||||
| 442 Thu Jun 26 14:34:23 2025 | transfer_database.sh | |||||
| 4385 Thu Jun 26 14:34:24 2025 | upload_to_erda.py | |||||
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