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Classical forcefields dataset for AN1 #12

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tkreiman opened this issue Mar 6, 2024 · 0 comments
Open

Classical forcefields dataset for AN1 #12

tkreiman opened this issue Mar 6, 2024 · 0 comments

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@tkreiman
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tkreiman commented Mar 6, 2024

Is there a dataset available for classical forcefields calculated on ANI? Alternatively, is there a way to interface with a library like lamps to calculate the classical forcefields directly? Thanks for the help.
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@tkreiman