SFETNI/Deep-Matter-Chem-Skills
Skill Claude CodeCodex
This skill covers coarse-grained (CG) molecular dynamics: mapping atomistic structures to CG bead representations, parameterizing CG force fields (Martini 3, iterative Boltzmann inversion, force matching), running CG simulations in GROMACS and LAMMPS, backmapping CG configurations to atomistic resolution, and…
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+1 5d ago A 5 tokens
original MIT