{"server":"com.forcefieldsilicon/mdengine","count":14,"tools":[{"name":"account","title":"Account balance and pricing","description":"Balance in USD (`balance_usd`), the part of it held by your unfinished jobs (`reserved_usd`, `held_jobs`) and what a new submit can use (`available_usd` = balance - reserved; a submit needs wall_limit_s x rate of it), 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, the key id of the API key in use, and `packs` (when the endpoint sells credit): [{id, name, usd, gpu_h, url}] to top up THIS key by appending ?client_reference_id=<key_id> to the pack url.","input_schema":{"type":"object","properties":{}},"output_schema":null,"annotations":{"title":"Account balance and pricing","readOnlyHint":true,"openWorldHint":true,"idempotentHint":true,"destructiveHint":false},"source":"probe","observed_at":"2026-10-19T06:36:49.390Z"},{"name":"campaign_request","title":"Start a study: request a quoted campaign","description":"No key needed. Sends a study request to a person and returns a request_id, the tier that fits, the price band, what we still need from you, the next step and the claim scope. Nothing is run or charged. Call it after reading a guide.","input_schema":{"type":"object","required":["customer_type","question","contact_email"],"properties":{"grid":{"type":"string","description":"Free text: compositions x temperatures, or ligands x pockets (e.g. 3 ligands x 1 receptor)"},"question":{"type":"string","maxLength":4000,"minLength":20,"description":"One paragraph: the decision the study feeds"},"data_rules":{"type":"string","description":"How the data and results may be used, kept or shared"},"organization":{"type":"string","description":"Optional"},"contact_email":{"type":"string","description":"Where the reply goes"},"customer_type":{"enum":["mineral-processing","dark-proteins","semiconductor","other"],"type":"string","description":"mineral-processing | dark-proteins | semiconductor | other"},"inputs_available":{"type":"array","items":{"type":"string"},"description":"What you can supply now, e.g. bath range, AlphaFold model, ligand list"}}},"output_schema":null,"annotations":{"title":"Start a study: request a quoted campaign","readOnlyHint":false,"openWorldHint":true,"idempotentHint":false,"destructiveHint":false},"source":"probe","observed_at":"2026-10-19T06:36:49.390Z"},{"name":"cancel_job","title":"Cancel job","description":"Cancel a job that is not finished. A running job is billed up to the cancel time; its pod is terminated.","input_schema":{"type":"object","required":["id"],"properties":{"id":{"type":"string","description":"Job id, e.g. MDJOB-20260907-3F200C"}}},"output_schema":null,"annotations":{"title":"Cancel job","readOnlyHint":false,"openWorldHint":true,"idempotentHint":true,"destructiveHint":true},"source":"probe","observed_at":"2026-10-19T06:36:49.390Z"},{"name":"capabilities","title":"What the runner can do","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.","input_schema":{"type":"object","properties":{"full":{"type":"boolean","description":"Include the full style table (large)"},"runner":{"type":"string","description":"lammps | openmm; omit for all"}}},"output_schema":null,"annotations":{"title":"What the runner can do","readOnlyHint":true,"openWorldHint":true,"idempotentHint":true,"destructiveHint":false},"source":"probe","observed_at":"2026-10-19T06:36:49.390Z"},{"name":"create_job","title":"Create a job (returns upload URL)","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.","input_schema":{"type":"object","required":["input"],"properties":{"gpu":{"type":"string","description":"GPU class; call account for the offered classes and how jobs are priced. Default any = cheapest available"},"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"},"launch":{"type":"string","description":"Launch template; omit for the default KOKKOS/CUDA LAMMPS command line"},"runner":{"type":"string","description":"Runner flavour: lammps (default) or openmm (beta)"},"end_marker":{"type":"string","description":"Optional line your deck prints when it truly finished (e.g. a `print DONE` at the end); a done job whose log lacks a line starting with it gets verdict=warnings, end_marker_missing=true"},"estimate_s":{"type":"integer","description":"Your runtime guess in seconds; informational only; the pre-check uses wall_limit_s net of credit held by your unfinished jobs"},"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"}}},"output_schema":null,"annotations":{"title":"Create a job (returns upload URL)","readOnlyHint":false,"openWorldHint":true,"idempotentHint":false,"destructiveHint":false},"source":"probe","observed_at":"2026-10-19T06:36:49.390Z"},{"name":"delete_results","title":"Delete a job's files now","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.","input_schema":{"type":"object","required":["id"],"properties":{"id":{"type":"string","description":"Job id, e.g. MDJOB-20260907-3F200C"}}},"output_schema":null,"annotations":{"title":"Delete a job's files now","readOnlyHint":false,"openWorldHint":true,"idempotentHint":true,"destructiveHint":true},"source":"probe","observed_at":"2026-10-19T06:36:49.390Z"},{"name":"guide","title":"Start here: guides by customer type","description":"No key needed. Without customer_type: the list of guides (one line each), the start page and how to get a key. With customer_type (mineral-processing | dark-proteins): the full guide, which says what to supply, what runs, what comes back and what it costs. With template (openmm-stability): the script text of that template, ready to save and submit.","input_schema":{"type":"object","properties":{"template":{"type":"string","description":"openmm-stability (dark-proteins stage 1 OpenMM script); returns the script text"},"customer_type":{"type":"string","description":"mineral-processing | dark-proteins; omit for the list"}}},"output_schema":null,"annotations":{"title":"Start here: guides by customer type","readOnlyHint":true,"openWorldHint":true,"idempotentHint":true,"destructiveHint":false},"source":"probe","observed_at":"2026-10-19T06:36:49.390Z"},{"name":"job_log","title":"Job log tail","description":"The last <= 20 thermo/log lines the running pod reported (30 s heartbeat). Full log.lammps is in the results tarball.","input_schema":{"type":"object","required":["id"],"properties":{"id":{"type":"string","description":"Job id, e.g. MDJOB-20260907-3F200C"}}},"output_schema":null,"annotations":{"title":"Job log tail","readOnlyHint":true,"openWorldHint":true,"idempotentHint":true,"destructiveHint":false},"source":"probe","observed_at":"2026-10-19T06:36:49.390Z"},{"name":"job_results","title":"Results download URL","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.","input_schema":{"type":"object","required":["id"],"properties":{"id":{"type":"string","description":"Job id, e.g. MDJOB-20260907-3F200C"}}},"output_schema":null,"annotations":{"title":"Results download URL","readOnlyHint":true,"openWorldHint":true,"idempotentHint":true,"destructiveHint":false},"source":"probe","observed_at":"2026-10-19T06:36:49.390Z"},{"name":"job_status","title":"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, and the post-run verdict: clean | warnings (a done run whose log shows QEq CG failures, lost atoms, a fix halt, or no end_marker line; counts in `warnings`).","input_schema":{"type":"object","required":["id"],"properties":{"id":{"type":"string","description":"Job id, e.g. MDJOB-20260907-3F200C"}}},"output_schema":null,"annotations":{"title":"Job status","readOnlyHint":true,"openWorldHint":true,"idempotentHint":true,"destructiveHint":false},"source":"probe","observed_at":"2026-10-19T06:36:49.390Z"},{"name":"list_jobs","title":"List jobs","description":"Jobs of this API key, newest first. Compact rows (id, state, label, created, finished, gpu, cost_usd, error) unless full=true.","input_schema":{"type":"object","properties":{"full":{"type":"boolean","description":"Return the complete status object per job (default false)"},"limit":{"type":"integer","description":"1..200, default 20"}}},"output_schema":null,"annotations":{"title":"List jobs","readOnlyHint":true,"openWorldHint":true,"idempotentHint":true,"destructiveHint":false},"source":"probe","observed_at":"2026-10-19T06:36:49.390Z"},{"name":"preflight_deck","title":"Check a deck before spending","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.","input_schema":{"type":"object","required":["input","files"],"properties":{"files":{"type":"object","description":"Deck contents {path: text}, must include `input`","additionalProperties":{"type":"string"}},"input":{"type":"string","description":"Relative path of the LAMMPS (or runner) input script inside the deck, e.g. in.lmp"}}},"output_schema":null,"annotations":{"title":"Check a deck before spending","readOnlyHint":true,"openWorldHint":true,"idempotentHint":true,"destructiveHint":false},"source":"probe","observed_at":"2026-10-19T06:36:49.390Z"},{"name":"start_job","title":"Start an uploaded job","description":"Step 2: queue a job whose deck tarball has been uploaded. A GPU pod is launched; billing starts when it reports running.","input_schema":{"type":"object","required":["id"],"properties":{"id":{"type":"string","description":"Job id, e.g. MDJOB-20260907-3F200C"}}},"output_schema":null,"annotations":{"title":"Start an uploaded job","readOnlyHint":false,"openWorldHint":true,"idempotentHint":false,"destructiveHint":false},"source":"probe","observed_at":"2026-10-19T06:36:49.390Z"},{"name":"submit_job","title":"Submit a deck (inline files) and start it","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.","input_schema":{"type":"object","required":["input","files"],"properties":{"gpu":{"type":"string","description":"GPU class; call account for the offered classes and how jobs are priced. Default any = cheapest available"},"files":{"type":"object","description":"Deck contents: {\"in.lmp\": \"...\", \"data.al\": \"...\"}; paths relative, no '..'; must include `input`","additionalProperties":{"type":"string"}},"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"},"launch":{"type":"string","description":"Launch template; omit for the default KOKKOS/CUDA LAMMPS command line"},"runner":{"type":"string","description":"Runner flavour: lammps (default) or openmm (beta)"},"end_marker":{"type":"string","description":"Optional line your deck prints when it truly finished (e.g. a `print DONE` at the end); a done job whose log lacks a line starting with it gets verdict=warnings, end_marker_missing=true"},"estimate_s":{"type":"integer","description":"Your runtime guess in seconds; informational only; the pre-check uses wall_limit_s net of credit held by your unfinished jobs"},"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"}}},"output_schema":null,"annotations":{"title":"Submit a deck (inline files) and start it","readOnlyHint":false,"openWorldHint":true,"idempotentHint":false,"destructiveHint":false},"source":"probe","observed_at":"2026-10-19T06:36:49.390Z"}],"next_cursor":null,"next_actions":[{"action":"get_connection","description":"Connection block to call these tools","href":"/v1/servers/com.forcefieldsilicon%2Fmdengine/connection?target=mcpServers","arguments":{"name":"com.forcefieldsilicon/mdengine","target":"mcpServers"}},{"action":"get_server","description":"Full descriptor with trust and connectability","href":"/v1/servers/com.forcefieldsilicon%2Fmdengine","arguments":{"name":"com.forcefieldsilicon/mdengine"}}]}