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move ESM to/from GPU once per complex, not once per chain #5

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merged 1 commit into from
Sep 10, 2024

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arogozhnikov
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Previously (see #3) ESM model was moved to/from GPU only once per every chain.

This PR changes changes behavior to move to/from only once (if necessary).

Additionally if there are multiple copies of the chain, we embed corresponding sequence only once.

@arogozhnikov arogozhnikov merged commit 48b4ef7 into main Sep 10, 2024
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