The RBF cutoff parameter affects feature encoding but is not saved in model checkpoints. If changed, models would silently use different feature dims at inference vs training.
- Add args dict to save_checkpoint in scripts/train.py containing radius, num_edge_rbf, etc.
- Ensure
load_encoder_from_checkpoint properly uses saved values
The RBF cutoff parameter affects feature encoding but is not saved in model checkpoints. If changed, models would silently use different feature dims at inference vs training.
load_encoder_from_checkpointproperly uses saved values