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Excited to share our latest preprint: ๐—Ÿ๐—ฒ๐—ฎ๐—ฟ๐—ป๐—ถ๐—ป๐—ด ๐—›๐—ฎ๐—บ๐—ถ๐—น๐˜๐—ผ๐—ป๐—ถ๐—ฎ๐—ป ๐—™๐—น๐—ผ๐˜„ ๐— ๐—ฎ๐—ฝ๐˜€: ๐— ๐—ฒ๐—ฎ๐—ป ๐—™๐—น๐—ผ๐˜„ ๐—–๐—ผ๐—ป๐˜€๐—ถ๐˜€๐˜๐—ฒ๐—ป๐—ฐ๐˜† ๐—ณ๐—ผ๐—ฟ ๐—Ÿ๐—ฎ๐—ฟ๐—ด๐—ฒ-๐—ง๐—ถ๐—บ๐—ฒ๐˜€๐˜๐—ฒ๐—ฝ ๐— ๐—ผ๐—น๐—ฒ๐—ฐ๐˜‚๐—น๐—ฎ๐—ฟ ๐——๐˜†๐—ป๐—ฎ๐—บ๐—ถ๐—ฐ๐˜€ ๐ŸŽ‰
3mo
Michael Plainer
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‘‡
3mo
Video
Winfried Ripken