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by @danabra.mov
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by @danabra.mov
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by @jimpick.com
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by @atsui.org
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Ever get tired of tiny timesteps bottlenecking your MD simulations? We show how to train a model for large-timestep Hamiltonian dynamics directly on standard MLFF datasets. ๐—ก๐—ผ ๐—ฟ๐—ฒ๐—ณ๐—ฒ๐—ฟ๐—ฒ๐—ป๐—ฐ๐—ฒ ๐˜๐—ฟ๐—ฎ๐—ท๐—ฒ๐—ฐ๐˜๐—ผ๐—ฟ๐—ถ๐—ฒ๐˜€, ๐—ป๐—ผ ๐˜‚๐—ป๐—ฟ๐—ผ๐—น๐—น๐—ถ๐—ป๐—ด, ๐—ป๐—ผ ๐˜๐—ฒ๐—ฎ๐—ฐ๐—ต๐—ฒ๐—ฟ needed! ๐Ÿงต๐Ÿ‘‡
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Winfried Ripken