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NVIDIA-Digital-Bio / nvMolKit Public

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Fork 17
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Issues 8
Pull requests 4
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Pull requests: NVIDIA-Digital-Bio/nvMolKit

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Pull requests list

Use shared memory positions in per molecule small kernels

#61 opened Dec 5, 2025 by scal444

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7

Draft: Rework MMFF loop to warp iteration

#60 opened Dec 5, 2025 by scal444

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Remove separate dispatch for per molecule kernel sizes. Now choose one kernel based on max size.

#59 opened Dec 5, 2025 by scal444

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CI test 4

#46 opened Nov 10, 2025 by scal444

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