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Add other models.
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Shyue Ping Ong committed Nov 27, 2023
1 parent 3b107f7 commit 0e1022d
Showing 1 changed file with 28 additions and 1 deletion.
29 changes: 28 additions & 1 deletion hubconf.py
Original file line number Diff line number Diff line change
Expand Up @@ -14,5 +14,32 @@ def m3gnet_universal_potential(version="MP-2021.2.8-DIRECT", **kwargs):
version (str): Defaults to "MP-2021.2.8-DIRECT". Other versions available.
**kwargs: Pass through to matgl.load_model.
"""
# Call the model, load pretrained weights
return matgl.load_model(f"M3GNet-{version}", **kwargs)


def m3gnet_formation_energy(**kwargs):
"""M3GNet Formation Energy Model.
Args:
version (str): Defaults to "MP-2018.6.1-EForm". Other versions available.
**kwargs: Pass through to matgl.load_model.
"""
return matgl.load_model("M3GNet-MP-2018.6.1-Eform", **kwargs)


def megnet_formation_energy(**kwargs):
"""MEGNet Formation Energy Model.
Args:
**kwargs: Pass through to matgl.load_model.
"""
return matgl.load_model("MEGNet-MP-2018.6.1-Eform", **kwargs)


def megnet_band_gap_mfi(**kwargs):
"""MEGNet Multi-fidelity Band Gap Model.
Args:
**kwargs: Pass through to matgl.load_model.
"""
return matgl.load_model("MEGNet-MP-2019.4.1-BandGap-mfi", **kwargs)

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