| # multi-sampling | |
| python -W ignore evaluate.py \ | |
| --model_path /home/gabeguo/hydra/singlerun/2024-02-16/mp_20 \ | |
| --data_dir /home/gabeguo/cdvae/data/mp_20 \ | |
| --tasks recon \ | |
| --label xrd_threeSamples \ | |
| --num_evals 3 \ | |
| --xrd | |
| # forcing composition | |
| python -W ignore evaluate.py \ | |
| --model_path /home/gabeguo/hydra/singlerun/2024-02-16/mp_20 \ | |
| --data_dir /home/gabeguo/cdvae/data/mp_20 \ | |
| --tasks recon \ | |
| --label xrd_givenComposition \ | |
| --force_num_atoms \ | |
| --force_atom_types \ | |
| --xrd |