f03ff5dcd9b09c807db6e76a2a821ff6602d26bf,qcengine/programs/torchani.py,TorchANIHarness,get_model,#TorchANIHarness#Any#,56

Before Change

        torchani.nn.Ensemble.forward = ensemble_forward

        if name == "ani1x":
            self._CACHE[name] = torchani.models.ANI1x()

        elif name == "ani1ccx":
            self._CACHE[name] = torchani.models.ANI1ccx()

After Change

            "ani1ccx": torchani.models.ANI1ccx(),
        }

        if parse_version(self.get_version()) >= parse_version("2.0"):
            ani_models["ani2x"] = torchani.models.ANI2x()

        try:

Instances