| # MoE tutorial data | |
| Small labelled subsets for the MoE training and inference tutorial. | |
| Files: | |
| - `aspirin_train.xyz`: first 8 frames from `experiments/data/rmd17_aspirin_train.xyz` | |
| - `aspirin_val.xyz`: first 4 frames from `experiments/data/rmd17_aspirin_val.xyz` | |
| - `aspirin_test.xyz`: first 4 frames from `experiments/data/rmd17_aspirin_test.xyz` | |
| - `3bpa_train.xyz`: first 8 frames from `experiments/data/3bpa_train_300K.xyz` | |
| - `3bpa_val.xyz`: frames 0-3 from `experiments/data/3bpa_test_1200K.xyz` | |
| - `3bpa_test.xyz`: frames 4-7 from `experiments/data/3bpa_test_1200K.xyz` | |
| All files are extended XYZ files with energy and force labels. | |