use gpu for AmberRelaxation if available#4
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littlefiveflowerstarfish wants to merge 1 commit intoml4bio:mainfrom
Open
use gpu for AmberRelaxation if available#4littlefiveflowerstarfish wants to merge 1 commit intoml4bio:mainfrom
littlefiveflowerstarfish wants to merge 1 commit intoml4bio:mainfrom
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Many thanks! A quick win that's a massive time saver in my array jobs |
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The current inference code uses cpu for relaxation even when gpu is available and used for inference.