chemprop/models/utils.py

from os import PathLike
import torch

from chemprop.models.model import MPNN
from chemprop.models.multi import MulticomponentMPNN


def save_model(path: PathLike, model: MPNN) -> None:
    torch.save({"hyper_parameters": model.hparams, "state_dict": model.state_dict()}, path)


def load_model(path: PathLike, multicomponent: bool) -> MPNN:
    if multicomponent:
        model = MulticomponentMPNN.load_from_file(path)
    else:
        model = MPNN.load_from_file(path)

    return model