/tools/NNPOps
NNPOps
openmm/NNPOps
100 stars19 forksC++Added February 4, 2026
summary
NNPOps is a project aimed at enhancing the use of neural network potentials in molecular dynamics by offering highly optimized operations. It includes both CPU and CUDA implementations for efficient inference in simulations.
description
High-performance operations for neural network potentials
topics
machine-learningmolecular-dynamicsmolecular-modelingcudagpu
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