cyrusyc commited on
Commit
831bd2c
1 Parent(s): 8396dce

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(MPTrj),1.732
 
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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
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 sign changes.
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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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  )