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update wte table
Browse files
mlip_arena/tasks/thermal-conductivity/wte.csv
CHANGED
@@ -3,5 +3,7 @@ M3GNet,1.142
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CHGNet,1.717
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MACE-MP(M),0.647
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SevenNet,0.767
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-
ORBv2
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eqV2(OMat-S),1.772
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CHGNet,1.717
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MACE-MP(M),0.647
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SevenNet,0.767
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+
ORBv2,1.732
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+
ORBv2(MPTrj),1.725
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eqV2(OMat-S),1.772
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+
eqV2(OMat),1.940
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serve/ranks/homonuclear-diatomics.py
CHANGED
@@ -170,6 +170,6 @@ def render():
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- **Spearman's coeff. (F: descending)**: Spearman's correlation coefficient of force prediction within equilibrium distance $r \\in (r_{min}, r_o = \\argmin_{r} E(r))$.
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- **Tortuosity**: The ratio between total variation in energy and sum of absolute energy differences between $r_{min}$, $r_o$, and $r_{max}$.
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- **Energy jump**: The sum of energy discontinuity.
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-
- **Force flips**: The number of
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"""
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)
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- **Spearman's coeff. (F: descending)**: Spearman's correlation coefficient of force prediction within equilibrium distance $r \\in (r_{min}, r_o = \\argmin_{r} E(r))$.
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- **Tortuosity**: The ratio between total variation in energy and sum of absolute energy differences between $r_{min}$, $r_o$, and $r_{max}$.
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- **Energy jump**: The sum of energy discontinuity.
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+
- **Force flips**: The number of force direction changes.
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"""
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)
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