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Foundational C++ library providing mathematical primitives, spatial data structures, and parallel algorithms specifically optimized for molecular dynamics (MD) simulation and analysis.
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The project implements standard computational geometry and math primitives (KD-trees, quaternions, octrees) for molecular dynamics. While necessary for the 'VOLT' ecosystem, these are commodity algorithms with many high-performance, mature alternatives like Eigen, nanoflann, or those found within LAMMPS/GROMACS. Zero stars and forks suggest it is currently an internal lab utility with no external adoption.
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