v0.1.7

Add repetition-based augmentation for polymers in the GRIN predictor. This feature requires an additional dependency, CombineMols, to be installed when enabled.

v0.1.6

Fix issues in the checkpoint

1. verbose
2. Using the old device from the checkpoint --> Ignoring the old device configuration

v0.1.5

1. Fix the best checkpoint issue in prediction models
2. update logging method to support "print_statement", "progress_bar", or "none"

v0.1.4

1. fix issue: dataclass to class
2. update: move the step progress bar from per-epoch to global progress (epoch * step)

v0.1.3

1. Add torch_molecule.datasets module
2. Polish the readme
3. Fix bugs in masked atom id (AttrMask and MoAMA)