CHGNet wrapper for pretrained models does not load the correct path when NFF is installed using pip
xiaochendu opened this issue · 0 comments
xiaochendu commented
In nff/nn/models/chgnet.py it assumes the pretrained CHGNet models in ./models
are installed in addition to ./nff
, which is not the case. Currently pip only installs ./nff
as a package.
@classmethod
def load(cls, model_name: str = "0.3.0", **kwargs) -> CHGNetNFF:
...
try:
checkpoint_path = {
"0.3.0": "../../../models/foundation_models/chgnet/0.3.0/chgnet_0.3.0_e29f68s314m37.pth.tar",
"0.2.0": "../../..models/foundation_models/chgnet/0.2.0/chgnet_0.2.0_e30f77s348m32.pth.tar",
}[model_name]
...