Automatic Differentiation Multipole Moment Molecular Forcefield
On a single gpu, using waterbox_31ang.pdb example from MPIDplugin which contains 2988 atoms, reciprocal space energy and force calculation (by value_and_grad) takes
105 ms ± 359 µs per loop (mean ± std. dev. of 7 runs, 10 loops each)
self energy is expectedly negligible.
142 µs ± 3.93 µs per loop (mean ± std. dev. of 7 runs, 10000 loops each)
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PartImageNet: A Large, High-Quality Dataset of Parts We will release our dataset and scripts soon after cleaning and approval. Introduction PartImageN
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PLAYEMO Playemo was built from the ground-up with Flask, a python tool that makes it easy for developers to build APIs. Use Cases Is Python your langu
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