| Path | Size | Files | Directories | Date | Time |
|---|---|---|---|---|---|
| /data/backup/private_groups | 867.6T | 142925041 | 8398531 | 2025-04-27 | 18:00:01 |
| Filename | Size |
|---|---|
| lig_files | 337.9K |
| params | 333.6K |
| AIMnet | 313.0K |
| params_gen | 308.6K |
| amber_out | 290.0K |
| lig_out | 270.8K |
| CSD_conformers | 164.4K |
| .ipynb_checkpoints | 137.5K |
| RDKit_conf_gen.ipynb | 137.5K |
| molfile_to_params.py | 77.6K |
| .DS_Store | 6.0K |
| mol2genparams.py | 5.4K |
| NOTE_AIMNet | 3.9K |
| QTZ.sdf | 3.1K |
| ._.DS_Store | 120 |
| QTZ.smi | 69 |
| min_confs | 0 |