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Update README.md

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val/omol.val,omol_energy,mae: 0.0912
val/omol.val,omol_energy,per_atom_mae: 0.0016
val/omol.val,omol_forces,cosine_similarity: 0.9931
val/omol.val,omol_forces,mae: 0.0147
val/omol.val,omol_forces,magnitude_error: 0.0159

val/omol.val_biomolecules,equiv,mae: 0.0001
val/omol.val_biomolecules,omol_energy,mae: 0.0894
val/omol.val_biomolecules,omol_energy,per_atom_mae: 0.0006
val/omol.val_biomolecules,omol_forces,cosine_similarity: 0.9991
val/omol.val_biomolecules,omol_forces,mae: 0.0110
val/omol.val_biomolecules,omol_forces,magnitude_error: 0.0116

val/omol.val_electrolytes,equiv,mae: 0.0001
val/omol.val_electrolytes,omol_energy,mae: 0.0863
val/omol.val_electrolytes,omol_energy,per_atom_mae: 0.0013
val/omol.val_electrolytes,omol_forces,cosine_similarity: 0.9930
val/omol.val_electrolytes,omol_forces,mae: 0.0142
val/omol.val_electrolytes,omol_forces,magnitude_error: 0.0153

val/omol.val_metal_complexes,equiv,mae: 0.0001
val/omol.val_metal_complexes,omol_energy,mae: 0.1976
val/omol.val_metal_complexes,omol_energy,per_atom_mae: 0.0033
val/omol.val_metal_complexes,omol_forces,cosine_similarity: 0.9540
val/omol.val_metal_complexes,omol_forces,mae: 0.0385
val/omol.val_metal_complexes,omol_forces,magnitude_error: 0.0445

val/omol.val_neutralorganics,equiv,mae: 0.0001
val/omol.val_neutralorganics,omol_energy,mae: 0.0694
val/omol.val_neutralorganics,omol_energy,per_atom_mae: 0.0024
val/omol.val_neutralorganics,omol_forces,cosine_similarity: 0.9930
val/omol.val_neutralorganics,omol_forces,mae: 0.0238
val/omol.val_neutralorganics,omol_forces,magnitude_error: 0.0267

val/omol.val_reactivity,equiv,mae: 0.0002
val/omol.val_reactivity,omol_energy,mae: 0.0474
val/omol.val_reactivity,omol_energy,per_atom_mae: 0.0028
val/omol.val_reactivity,omol_forces,cosine_similarity: 0.9930
val/omol.val_reactivity,omol_forces,mae: 0.0317
val/omol.val_reactivity,omol_forces,magnitude_error: 0.0358

val/omol.val_spice,equiv,mae: 0.0000
val/omol.val_spice,omol_energy,mae: 0.0417
val/omol.val_spice,omol_energy,per_atom_mae: 0.0007
val/omol.val_spice,omol_forces,cosine_similarity: 0.9985
val/omol.val_spice,omol_forces,mae: 0.0104
val/omol.val_spice,omol_forces,magnitude_error: 0.0112

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  1. README.md +8 -3
README.md CHANGED
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- ---
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- license: cc-by-4.0
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- ---
 
 
 
 
 
 
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+ ---
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+ license: cc-by-4.0
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+ tags:
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+ - transip,
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+ - mlip,
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+ - non-equivariant,
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+ - transformer,
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+ ---