3 tagged computational-chemistry, measured the same way as everything else here.
MCP server Claude CodeCodexCursor +2
Model Context Protocol server that drives a local GROMACS installation — build, solvate, ionize, run simulations in the background, and analyse trajectories from any MCP client. Runs locally from the gromacs-mcp Python package.
MCP server Claude CodeCodexCursor +2
MCP server "molecules" as configured in laszlopere/mcp-molecules. Launched with mcp-molecules.
MCP server Claude CodeCodexCursor +2
An MCP server that drives VMD for GROMACS/LAMMPS trajectory analysis, scripted rendering, and clathrate-hydrate cage science (H-bond networks, F3/F4 order parameters). Runs locally from the vmd-hydrate-mcp Python package.