MDEngine (Official)

Plugin mdengine from marketplace forcefieldsilicon in forcefieldsilicon/mdengine-plugins. Commands read from the repo's manifest — 12 days ago.

Skills (8)

• alloy-wear-study

  Plan and run a wear, hardness and elasticity study of a metallic alloy with MDEngine: high-entropy and medium-entropy alloys, stainless and nickel-base alloys, any fcc or bcc solid solution with a published EAM or MEAM potential. Use it when the request mentions a high-entropy alloy, a Cantor alloy,

• dark-proteins-study

  Plan a molecular-dynamics study of a dark protein with MDEngine and ForceField Silicon: a protein from the dark proteome with no crystal structure, where the starting point is a predicted structure such as an AlphaFold model, often with disordered regions. Use it when the request mentions the dark p

• forcefield-studies

  Follow a ForceField Silicon study from the customer's own Claude through the studies connector. Use it when the request mentions a study key, a SOW, a ForceField Silicon study, "my study", campaign status, the campaign matrix, tiers, the study report, what is blocked or when prep is scheduled, a cha

• lammps-deck

  Write or repair a LAMMPS input deck that the MDEngine hosted runner accepts. Use it when writing an input script or in.* deck, when a run exits at startup, when LAMMPS reports lost atoms, when a GPU run dies with an illegal address, when preflight says a style is missing or CPU-only, or when a deck

• mdengine

  Start here for any molecular-dynamics task with MDEngine: run a LAMMPS or OpenMM deck, run it on a hosted GPU, inspect a trajectory, measure something from a finished run, render a frame or a video, pick a potential, or work out why a deck was refused. Use it when the request mentions LAMMPS, OpenMM

• mineral-processing-campaign

  Plan and run a molten-salt electrolyte property study with MDEngine for mineral processing and rare-earth refining. Use it when the request mentions a molten salt, an electrolyte or a bath, rare earth refining or electrowinning, bath conductivity, viscosity, density or diffusion, speciation or compl

• potentials

  Choose an interatomic potential for an MD run and know what it costs. Use it when picking between LJ, EAM, Tersoff, Stillinger-Weber, ReaxFF, Vashishta or Buckingham, when asked "which force field for this material", when a run needs to model bond breaking or oxidation, when a deck's pair style turn

• results

  Turn a finished MD run into numbers and pictures. Use it when asked to analyze a trajectory or a dump file, measure crystallinity, grain size, diffusion, RDF, stress or strain, count contacts or hydrogen bonds, profile a deposited layer, render a frame or a movie of a simulation, export a frame, shr

MCP servers (2)

• mdengine-cloud

  connects to: https://api.forcefieldsilicon.com/mcp

• forcefield-studies

  connects to: https://api.forcefieldsilicon.com/dsuite/mcp

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