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add EquiformerV2 OC20 ckpt
Browse files
mlip_arena/models/externals.py
CHANGED
@@ -173,6 +173,22 @@ class EquiformerV2(OCPCalculator):
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force=atoms.get_forces(),
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)
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class eSCN(OCPCalculator):
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def __init__(
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force=atoms.get_forces(),
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)
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class EquiformerV2OC20(OCPCalculator):
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def __init__(
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self,
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model_name="EquiformerV2-31M-S2EF-OC20-All+MD",
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local_cache="/tmp/ocp/",
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cpu=False,
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seed=0,
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**kwargs,
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) -> None:
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super().__init__(
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model_name=model_name,
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local_cache=local_cache,
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cpu=cpu,
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seed=0,
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**kwargs,
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)
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class eSCN(OCPCalculator):
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def __init__(
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mlip_arena/models/registry.yaml
CHANGED
@@ -71,6 +71,24 @@ EquiformerV2(OC22):
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nvt: true
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npt: false
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eSCN(OC20):
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module: externals
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class: eSCN
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nvt: true
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npt: false
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EquiformerV2(OC20):
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module: externals
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class: EquiformerV2OC20
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family: equiformer
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username: cyrusyc
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last-update: 2024-07-08T00:00:00
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datetime: 2024-07-08T00:00:00
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datasets:
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- ocp
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gpu-tasks:
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- homonuclear-diatomics
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- combustion
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github: https://github.com/FAIR-Chem/fairchem
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doi: https://arxiv.org/abs/2306.12059
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prediction: EF
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nvt: true
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npt: false
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eSCN(OC20):
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module: externals
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class: eSCN
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