| # GraphBSI checkpoints | |
| | Dataset | File | Source run | | |
| |---------|------|------------| | |
| | Moses | moses/last.ckpt | u2xo7qql | | |
| | GuacaMol | guacamol/last.ckpt | 635bennr (epoch 89) | | |
| | GuacaMol (50-step Euler row of Tab. 1) | guacamol/epoch_59.ckpt | 17oqxx3h (epoch 59) | | |
| | Planar | planar/last.ckpt | agag753c | | |
| | SBM | sbm/last.ckpt | aog3lu3i | | |
| | Tree | tree/last.ckpt | n6t28f9t | | |
| | QM9 (no H) | qm9/last.ckpt | icd4vay6 | | |
| | QM9 (with H) | qm9_with_h/last.ckpt | zbtevof0 | | |
| | FlyBrain | flybrain/last.ckpt | mxjhu6l3 | | |
| | MEL2 | mel2/last.ckpt | n6yuk51z | | |
| | Toy sequences | toy_sequence/alphabet_{5,10,...,160}.ckpt | noise_scale=5.0 sweep | | |
| The 50-step Euler GuacaMol row of Tab. 1 was evaluated on run 17oqxx3h while | |
| its last checkpoint was at epoch 59; `guacamol/epoch_59.ckpt` is that file. | |
| All molecular checkpoints were trained with the precision schedule | |
| `initial_precision=3.0`, `final_precision=12.0`; the synthetic-graph checkpoints | |
| use `final_precision=20.0` (planar, SBM) and `25.0` (tree). The repository | |
| configs are pinned accordingly -- do not evaluate them with the generic | |
| `ole_scheduler` default. | |
| Download with: | |
| ```bash | |
| python scripts/download_checkpoints.py | |
| ``` | |