Projects

Projects

Updated 6 months ago

lindemann • Rank 9.1 • Science 77%

lindemann is a python package to calculate the Lindemann index of a lammps trajectory

analysis cheminformatics chemistry chemoinformatics gromacs lammps lammps-trajectory lindemann lindemann-index md-simulation molecular-dynamics ovito phase-transition phase-transitions simulation temperature-ramps transition-phase

Updated 5 months ago

https://github.com/bbye98/mdhelper • Science 13%

A batteries-included toolkit of analysis modules and helper functions for molecular dynamics (MD) simulations.

md-simulation mdanalysis openmm

ecosyste.ms

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Open Source Science

lindemann • Rank 9.1 • Science 77%

https://github.com/bbye98/mdhelper • Science 13%