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lammps/lammps

LAMMPS is an open-source molecular dynamics simulation software package for researchers and developers working in computational chemistry and physics.

2.8K

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C++

API Frameworks

Databases

#molecular-dynamics#simulation#computational-chemistry

kokkos/kokkos

A C++ performance-portable programming ecosystem with abstractions for parallel execution and memory access.

2.5K

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C++

API Frameworks

CLI Tools

C++

#abstraction#high-performance-computing#parallel-computing

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