Commit ·
ad8ef48
1
Parent(s): 9e2c540
update units of the model
Browse files
README.md
CHANGED
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@@ -59,11 +59,11 @@ Inputs must therefore be prepared using the same AMARO mapping and bead-type ass
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* `energy`: learned effective potential for each system
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* `forces`: negative gradient of the effective potential with respect to bead positions
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The model
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```text
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kcal
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```
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Because the model was trained using force labels without energy labels, its absolute energy reference is not physically calibrated.
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* `energy`: learned effective potential for each system
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* `forces`: negative gradient of the effective potential with respect to bead positions
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The model uses units of:
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```text
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kcal/mol/Å for forces and Å for coordinates
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```
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Because the model was trained using force labels without energy labels, its absolute energy reference is not physically calibrated.
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