| # OrbEvo | |
| Paper: https://arxiv.org/abs/2603.03511 | |
| Currently in this dataset: | |
| 5,000 QM9 TDDFT trajectories generated using the ABACUS simulation code (https://arxiv.org/abs/2501.08697). | |
| Folders: | |
| ``` | |
| - QM9_tddft/ <--- the data used for training and evaluation | |
| - processed/ | |
| - raw/ | |
| - before_down_sampling/ <--- the same data but before downsampling 10x in time (larger in size) | |
| - QM9_all_steps | |
| ``` | |