SciMesh/STATUS.md

SciMesh Status

Updated: 2026-08-01 Branch baseline: main; this revision adds the Workload SDK foundation.

Current state

The local Python molecular workloads are implemented and tested. They provide the reference behaviour for future distributed execution:

• similarity-search: streaming ChEMBL TSV search, Morgan fingerprints, Tanimoto scoring, heap-based top-k, CSV and image output;
• similarity-graph: exact sparse graph, block-based pair comparisons, deterministic CSV output;
• Python Worker skeleton: claim, heartbeat, input checksum validation, artifact upload, completion and failure reporting.

The Go coordinator and its PostgreSQL-backed task lifecycle are implemented: registration, atomic claiming, lease renewal, artifact storage, dataset chunking, result/failure reporting, and job progress. The Python worker now uses the live coordinator contract. Completed similarity-search shard results are reduced once into a checksum-protected final CSV, which is downloadable through the coordinator. The full Go checks (including a fresh migration and real PostgreSQL smoke test) passed on 2026-07-24.

The User Service is merged into main. It owns user accounts, authentication, roles, and verified-contributor status; the coordinator scopes user jobs and worker operations to the authenticated owner. Its documented v1 contract is in docs/user-service-api-contract.md. Users can create and revoke worker keys for self-service Worker Agent enrollment. Untrusted workers require quorum agreement from distinct owners on the complete result-artifact SHA-256 before a task is accepted.

Milestone tracker

CTX	Status	Notes
CTX-00 API and error contract	Implemented	Contract, OpenAPI, and request examples are in docs/.
CTX-01 Go coordinator bootstrap	Implemented	Go service and Docker runtime in coordinator/.
CTX-02 PostgreSQL migrations	Implemented	Applied by the Compose migration service.
CTX-03 Transactional queue	Implemented	Real-PostgreSQL integration tests cover atomic claims and concurrency.
CTX-04 Worker registry and HTTP API	Implemented	Registration, claim, heartbeat, result, failure, and status endpoints.
CTX-05 Artifact storage	Implemented	Coordinator-owned inputs/results, checksum verification, and upload flow.
CTX-06 Python Worker live-contract alignment	Implemented	Worker completed a real uploaded shard via HTTP on 2026-07-23.
CTX-07 Distributed workload protocol	Implemented	Versioned Python contract models, registry, strict plan validation, and deterministic reduction ordering are in scimesh/distributed/.
CTX-08 Distributed similarity-search	Implemented	Python planner resolves query_id once, creates deterministic shard plans, worker adapter emits exact partial top-k CSVs/metrics, and reducer matches the local reference.
CTX-09 Reducer and final-result API	Implemented	Atomic reducing claim, deterministic coordinator-side top-k reducer, sanitized reducer failure, final artifact persistence, result_uri, and final CSV download.
CTX-10 Distributed similarity-graph	Not started	Local reference exists; the SDK-built local graph workload already enforces the pair-coverage invariant.
CTX-11 Dashboard/operator view	Implemented	Protected live control room: MkDocs documentation served at /ui/docs/ (SCIMESH_DOCS_DIR; the demo mounts site/ automatically), recent-run/worker overview, real pipeline-stage visualization, shard attempts and safe failures, validated similarity-search upload, coordinator artifacts, final-result download, bounded polling, a Workload library page rendering the embedded catalog from scimesh workload export (/ui/workloads, regenerated via make workloads-export).
CTX-12 Reliability, security, CI	In progress	Unit, race, PostgreSQL integration, and smoke checks exist; CI hardening remains.
CTX-15 User Service and access control	Implemented	User/owner scoping, verified contributors, worker keys, self-service enrollment, and quorum-backed untrusted workers are merged; local Go/Python and Docker/PostgreSQL checks passed.
MkDocs documentation site	Implemented	A standalone documentation site (mkdocs/, docs_dir: mkdocs) covering the complete Workload SDK: guides (overview, authoring workloads, CLI, worker integration), the full auto-generated API reference for all 15 scimesh.sdk modules (mkdocstrings), and the writing rules (mkdocs/approach.md). Built with make docs, served inside the UI at /ui/docs/; the project's internal docs/ directory is not part of the site.
CTX-16 Workload SDK foundation	Implemented	scimesh.sdk provides strict immutable manifests/plans/artifacts, digest/trust-pinned tasks, typed DAGs, compatibility negotiation, verifier primitives with owner/binding-safe quorum inputs, resource eligibility/local allocation, measured package discovery, a trusted local core-batch conformance harness, and strict package discovery. Enforcing coordinator/Worker profiles remain fail-closed.
SDK roadmap step 3: descriptor-batch	Implemented	The first SDK-built reference workload (scimesh/workloads/descriptors/): pinned 81-name RDKit 2D descriptor set, canonical one-row-per-input CSV, deterministic row-bounded shards, shard-index concatenation with one header, byte-identical local/distributed output, and a two-worker untrusted_quorum verifier test.
SDK-built similarity-search and similarity-graph	Implemented	Both workloads are SDK-built packages (scimesh/workloads/search/, scimesh/workloads/graph/) built on the MapReduceWorkload authoring scaffold (scimesh/sdk/batch.py); they reuse the local scientific cores and are byte-identical to the single-process references (search; graph for both threshold directions and any block size). The graph reducer enforces the CTX-10 pair-coverage invariant. scimesh/workloads/library.py composes the built-in registry/runtime.
SDK-built molwt-filter	Implemented	The minimal authoring example (scimesh/workloads/molwt_filter/): filters molecules by exact RDKit molecular weight with only one scientific hook, using the scaffold's new default sharding and concatenation hooks. Registered in the built-in library and as a scimesh.workloads entry point.
SDK authoring scaffold	Implemented	MapReduceWorkload (exported from scimesh.sdk) assembles manifest, map/reduce stages, workflow, and digest-pinned handlers from three scientific hooks (partition/compute/merge), with overridable hooks for domain validation, plan-time resolution, custom task planning, and partial-key policy. The generic `scimesh workload list

Next recommended assignment

Assign CTX-10 to the distributed-science role: implement deterministic block-pair planning and reduction for similarity-graph.

Known constraints

• The worker/coordinator flow accepts both underscore API workload names and hyphenated names at the runner boundary; the runner normalizes them.
• The worker executes SDK-built workloads through scimesh/worker/runners.py (a workload-generic v1-wire bridge over TaskSpec/LocalTaskContext); query_id resolution and parameter validation live in the workload itself. max_rows is a plan-time option and is rejected per task by the stage projection.
• A real-stack worker test uses a small query_smiles shard. The Python planner resolves query_id once and shares query_smiles; the upload UI currently accepts query_smiles only.
• The coordinator accepts uploaded distributed jobs only for similarity-search with query_smiles. It rejects similarity-graph until CTX-10 supplies cross-shard pair planning.
• The SDK can execute core-batch-v1 locally, but the protocol-v1 coordinator still has flat single-input/single-result tasks and no package/resource leases. General DAG, concurrent-Agent, GPU, stream, and gang execution needs a versioned coordinator/Worker rollout; unsupported features fail before planner invocation.
• The local SDK executor is intentionally trusted and in-process. It does not enforce process/network/timeout/credential isolation and rejects declarations that would require those guarantees.

Update rule

The integration role updates this file only after collecting command output, test evidence, and accepted changes. State facts, revision hashes, blockers, and the next unblocked CTX task; do not mark work complete based on plans alone.