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wjgoarxiv
2 MCPgithub ↗
// all assets
MCP
io.github.wjgoarxiv/vmd-hydrate-mcp
Drive VMD for GROMACS/LAMMPS analysis + clathrate-hydrate cage science (needs a local VMD)
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MCP
pymol-mcp
Headless PyMOL for molecular visualization, GROMACS/LAMMPS MD trajectories, and clathrate-hydrate cage analysis: H-bond networks, F3/F4 order parameters, and TRACE cage perception + occupancy.
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