{"name":"com.forcefieldsilicon/mdengine","slug":"forcefieldsilicon-mdengine","title":"MDEngine","description":"MD workbench for agents: 13 analysis tools, renders, hosted GPU runs; LAMMPS + OpenMM.","url":"https://mcp.market/server/forcefieldsilicon-mdengine","rating":null,"grade":"A","score":89,"certified":false,"status":"active","category":"other","tags":[],"presence":{"score":23,"stars":0,"forks":0,"downloads_week":null,"last_push_at":"2026-09-11T17:48:38.000Z","license":"NOASSERTION"},"uptime":{"percent":100,"checks":6,"ok":6,"last_checked_at":"2026-09-20T20:20:44.401Z","last_ok_at":"2026-09-20T20:20:44.401Z","latency_ms":811},"claimed":false,"transport":"mixed","callable_via_gateway":true,"default_price_micros":0,"repository":"https://github.com/forcefieldsilicon/mdengine","website":"https://forcefieldsilicon.com/mdengine","version":"0.7.1","remotes":[{"type":"streamable-http","url":"https://api.forcefieldsilicon.com/mcp","headers":[{"description":"Bearer mde_... API key, issued with a prepaid GPU credit pack at https://forcefieldsilicon.com/mdengine","isRequired":true,"isSecret":true,"name":"Authorization"}]}],"packages":[{"registryType":"mcpb","identifier":"https://github.com/forcefieldsilicon/mdengine/releases/download/v0.7.1/mdengine-mcp-0.7.1-macos-arm64.mcpb","fileSha256":"9b9713fec2548ee1c149ef7077982f5ef0394fc22be9b99210377c3dc3a0383a","transport":{"type":"stdio"}}],"tools":[{"name":"account","description":"Balance in USD, how jobs are priced (`pricing.mode` job = the deck's own work in atom-steps at per-class prices, capped at wall_limit_s x rate; metered = per second of pod time), the rate table, and the key id of the API key in use.","write_action":false,"price_micros":0,"input_schema":{"type":"object","properties":{}}},{"name":"cancel_job","description":"Cancel a job that is not finished. A running job is billed up to the cancel time; its pod is terminated.","write_action":true,"price_micros":0,"input_schema":{"type":"object","properties":{"id":{"type":"string","description":"Job id, e.g. MDJOB-20260907-3F200C"}},"required":["id"]}},{"name":"capabilities","description":"Capability manifest of the hosted runners: LAMMPS version, installed packages, and every style by category with gpu=true (KOKKOS-accelerated) or gpu=false (exists, but runs on the pod's CPU cores at the GPU rate). Default = compact summary; runner=lammps&full=true returns the whole style table. Use preflight_deck to check a specific deck.","write_action":false,"price_micros":0,"input_schema":{"type":"object","properties":{"runner":{"type":"string","description":"lammps | openmm; omit for all"},"full":{"type":"boolean","description":"Include the full style table (large)"}}}},{"name":"create_job","description":"Step 1 of the two-step path for big decks: validates the spec, reserves a job id, returns a presigned upload_url. PUT the deck as a .tar.gz (<= 2 GB, relative paths, input at `input`) to upload_url, then call start_job.","write_action":true,"price_micros":0,"input_schema":{"type":"object","properties":{"input":{"type":"string","description":"Relative path of the LAMMPS (or runner) input script inside the deck, e.g. in.lmp"},"label":{"type":"string","description":"Free text <= 120 chars shown in job lists"},"gpu":{"type":"string","description":"GPU class; call account for the offered classes and how jobs are priced. Default any = cheapest available"},"wall_limit_s":{"type":"integer","description":"Hard cap in seconds (default 14400, max 86400); the job fails at the cap and is billed to it"},"estimate_s":{"type":"integer","description":"Your runtime guess in seconds; only used for the balance pre-check (min 900 s at the rate)"},"runner":{"type":"string","description":"Runner flavour: lammps (default) or openmm (beta)"},"launch":{"type":"string","description":"Launch template; omit for the default KOKKOS/CUDA LAMMPS command line"}},"required":["input"]}},{"name":"delete_results","description":"For a finished job: delete its deck and results tarballs immediately instead of at the automatic 30-day purge. Metadata and billing records are kept; results can no longer be downloaded.","write_action":true,"price_micros":0,"input_schema":{"type":"object","properties":{"id":{"type":"string","description":"Job id, e.g. MDJOB-20260907-3F200C"}},"required":["id"]}},{"name":"job_log","description":"The last <= 20 thermo/log lines the running pod reported (30 s heartbeat). Full log.lammps is in the results tarball.","write_action":false,"price_micros":0,"input_schema":{"type":"object","properties":{"id":{"type":"string","description":"Job id, e.g. MDJOB-20260907-3F200C"}},"required":["id"]}},{"name":"job_results","description":"For a done/failed job: a presigned download_url (valid ~7 days) for the results tarball (work/, log.lammps, exitcode). Results are deleted 30 days after the run.","write_action":false,"price_micros":0,"input_schema":{"type":"object","properties":{"id":{"type":"string","description":"Job id, e.g. MDJOB-20260907-3F200C"}},"required":["id"]}},{"name":"job_status","description":"State (created|uploaded|queued|launching|running|uploading|done|failed|cancelled), GPU, rate, billed seconds, cost so far, exit code, error, last thermo lines.","write_action":false,"price_micros":0,"input_schema":{"type":"object","properties":{"id":{"type":"string","description":"Job id, e.g. MDJOB-20260907-3F200C"}},"required":["id"]}},{"name":"list_jobs","description":"Jobs of this API key, newest first. Compact rows (id, state, label, created, finished, gpu, cost_usd, error) unless full=true.","write_action":false,"price_micros":0,"input_schema":{"type":"object","properties":{"limit":{"type":"integer","description":"1..200, default 20"},"full":{"type":"boolean","description":"Return the complete status object per job (default false)"}}}},{"name":"preflight_deck","description":"Dry run of the check submit_job performs: which styles the deck asks for are MISSING on every hosted LAMMPS image (the run would exit at startup), which are CPU-only, whether its pair style will use the GPU at all, and which image (`runner`) the job will be routed to — decks needing packages beyond the fast default image run on lammps-full automatically. Nothing is created or billed.","write_action":false,"price_micros":0,"input_schema":{"type":"object","properties":{"input":{"type":"string","description":"Relative path of the LAMMPS (or runner) input script inside the deck, e.g. in.lmp"},"files":{"type":"object","additionalProperties":{"type":"string"},"description":"Deck contents {path: text}, must include `input`"}},"required":["input","files"]}},{"name":"start_job","description":"Step 2: queue a job whose deck tarball has been uploaded. A GPU pod is launched; billing starts when it reports running.","write_action":false,"price_micros":0,"input_schema":{"type":"object","properties":{"id":{"type":"string","description":"Job id, e.g. MDJOB-20260907-3F200C"}},"required":["id"]}},{"name":"submit_job","description":"One call: create a hosted GPU job, upload the deck given INLINE as {relative_path: text}, and queue it. Total inline size <= 8 MB; for larger decks use create_job, PUT the tarball to upload_url, then start_job. Billing starts at the first heartbeat (state running) and stops at done/failed/cancelled. The deck is executed as a program on an isolated GPU pod.","write_action":true,"price_micros":0,"input_schema":{"type":"object","properties":{"input":{"type":"string","description":"Relative path of the LAMMPS (or runner) input script inside the deck, e.g. in.lmp"},"label":{"type":"string","description":"Free text <= 120 chars shown in job lists"},"gpu":{"type":"string","description":"GPU class; call account for the offered classes and how jobs are priced. Default any = cheapest available"},"wall_limit_s":{"type":"integer","description":"Hard cap in seconds (default 14400, max 86400); the job fails at the cap and is billed to it"},"estimate_s":{"type":"integer","description":"Your runtime guess in seconds; only used for the balance pre-check (min 900 s at the rate)"},"runner":{"type":"string","description":"Runner flavour: lammps (default) or openmm (beta)"},"launch":{"type":"string","description":"Launch template; omit for the default KOKKOS/CUDA LAMMPS command line"},"files":{"type":"object","additionalProperties":{"type":"string"},"description":"Deck contents: {\"in.lmp\": \"...\", \"data.al\": \"...\"}; paths relative, no '..'; must include `input`"}},"required":["input","files"]}}],"scan":{"score":89,"grade":"A","scanned_at":"2026-09-19T20:15:07.602Z","report":{"scannerVersion":"0.1.5","scannedAt":"2026-09-19T20:15:07.601Z","components":{"code":{"score":-1,"max":25,"notes":["package could not be scanned"]},"reliability":{"score":20,"max":20,"notes":["remote reachable in 1857ms"]},"poisoning":{"score":15,"max":15,"notes":["12 tool descriptions checked"]},"auth":{"score":8,"max":15,"notes":["API key sent as a header"]},"maintenance":{"score":15,"max":15,"notes":["last push 8 days ago"]},"identity":{"score":9,"max":10,"notes":["registry namespace matches repository owner","website matches verified namespace"]}},"findings":[],"inputs":{"probes":[{"url":"https://api.forcefieldsilicon.com/mcp","reachable":true,"authRequired":false,"latencyMs":1857,"serverInfo":{"name":"com.forcefieldsilicon/mdengine","version":"0.6.0"}}],"packages":[],"repo":{"found":true,"owner":"forcefieldsilicon","repo":"mdengine","archived":false,"pushedAt":"2026-09-11T17:48:38Z","stars":0,"forks":0,"openIssues":0,"ownerType":"Organization","ownerAvatarUrl":"https://avatars.githubusercontent.com/u/323772940?v=4","ownerCreatedAt":"2026-09-01T21:09:20Z","license":"NOASSERTION"},"icon":{"url":"https://forcefieldsilicon.com/wp-content/uploads/2026/08/forcefield-mark-dark.png?w=192","source":"registry","width":192,"height":192},"presence":{"stars":0,"forks":0,"downloadsWeek":null,"license":"NOASSERTION","lastPushAt":"2026-09-11T17:48:38.000Z","score":23}}}},"grade_history":[],"reviews":[]}