);
// ── Inline JSON example ─────────────────────────────────────
const JsonExample = ({ label = "Response", json }) => (
{json}
);
// ── API group definitions ────────────────────────────────────
// Each group has: id, title, description, and an array of endpoint objects.
// Endpoints are rendered by the ApiSection component.
const API_GROUPS = [
{
id: 'authentication',
title: 'Authentication',
desc: 'Login and inspect the current user. The token returned by login should be passed as the X-API-Key header on subsequent requests.',
},
{
id: 'health',
title: 'Health',
desc: 'Gateway and service liveness/readiness probes. These routes are always public.',
},
{
id: 'projects',
title: 'Projects',
desc: 'Projects are the top-level container. All proteins, molecules, pockets, poses, and jobs belong to a project.',
},
{
id: 'proteins',
title: 'Proteins',
desc: 'Proteins are fetched from RCSB by PDB accession code and stored per-project. Creating a protein automatically saves co-crystallised ligands to the molecule library.',
},
{
id: 'molecules',
title: 'Molecules',
desc: 'The molecule library stores SMILES + 3D SDF per-project. Descriptors (MW, LogP, TPSA, etc.) are computed automatically via RDKit on creation.',
},
{
id: 'library-folders',
title: 'Library Folders',
desc: 'Hierarchical folders for organising the molecule library. Molecules can be assigned to a folder at creation or moved via PATCH.',
},
{
id: 'poses',
title: 'Poses',
desc: 'Saved molecular poses resulting from docking, MD, Boltz-2, QC, ABFE, or RBFE jobs. A pose stores the ligand SDF and optional full complex PDB.',
},
{
id: 'pockets',
title: 'Pockets',
desc: 'Binding-site definitions (center + box dimensions in Å) saved per-protein. Used as search-box inputs for docking jobs.',
},
{
id: 'jobs',
title: 'Jobs',
desc: 'The unified job queue. Long-running computations (docking, MD, Boltz-2, QC, ABFE, RBFE, REINVENT) are submitted here and executed by Celery workers. Pro job types require a valid license.',
},
{
id: 'websocket',
title: 'WebSocket',
desc: 'Real-time job progress via Redis pub/sub. A single WebSocket connection can subscribe to any number of job IDs and receives live updates as Celery tasks progress.',
},
{
id: 'workflows',
title: 'Workflows',
desc: 'Run a multi-step canvas workflow — a directed graph of boltz2, md, and docking nodes — as a single job. Ligand-X performs a topological sort and injects upstream outputs automatically.',
},
{
id: 'service-routes',
title: 'Service Routes',
desc: 'The gateway proxies all /api/{service}/* paths to the corresponding backend microservice. Authentication applies to all proxied routes except where noted.',
},
];
// ── Section content components ──────────────────────────────
const AuthenticationSection = () => (
<>
Authentication: Pass your API key as the X-API-Key header on all authenticated requests. Obtain a key via POST /api/auth/login. The following routes are public (no key required): GET /, GET /health, GET /api/services/health, POST /api/auth/login, GET /api/auth/me, GET /api/license/status, and the WebSocket endpoint.
Job types:docking, docking_batch, md, boltz2, boltz2_batch, admet, qc, abfe, abfe_atm, rbfe, rbfe_mapping_preview, reinvent_campaign. Pro job types (abfe, abfe_atm, rbfe, rbfe_mapping_preview, reinvent_campaign) require a valid Academic or Pro license.
Any additional fields in the body are passed through to the Celery task (protein paths, ligand SMILES, docking parameters, etc.).
);
const WebSocketSection = () => (
<>
Authentication for the WebSocket is passed in the first message, not as an HTTP header. If LIGANDX_API_KEY is set, the first message must include a token field. The connection is closed after 10 seconds if authentication is not provided.
First message (subscribe + auth)
","project_id":""}`}>
{`{
"type": "subscribe",
"job_ids": ["id1", "id2"],
"token": "", // required if LIGANDX_API_KEY is set
"project_id": "" // subscribe to all jobs in a project
}`}
The gateway transparently proxies all /api/{'{service}'}/* paths to the appropriate backend container. Authentication applies to all proxied routes. Request bodies are forwarded as-is; responses are streamed back.
These routes are explicitly registered in the gateway Ketcher router in addition to the catch-all proxy:
Method
Path
Purpose
{[
['GET', '/api/ketcher/info', 'Server info and available operations'],
['POST', '/api/ketcher/convert', 'Convert between molecule formats (SMILES, MOL, SDF, InChI)'],
['POST', '/api/ketcher/validate', 'Validate a structure'],
['POST', '/api/ketcher/generate3d', 'Generate a 3D conformer'],
['POST', '/api/ketcher/clean2d', 'Clean up 2D layout'],
['POST', '/api/ketcher/aromatize', 'Aromatize structure'],
['POST', '/api/ketcher/dearomatize', 'Dearomatize structure'],
['POST', '/api/ketcher/properties', 'Compute molecular properties'],
['POST', '/api/ketcher/sdf', 'Export as SDF'],
['POST', '/api/ketcher/ket-to-smiles', 'Convert KET format to SMILES'],
].map(([m, p, d]) => (
{p}
{d}
))}
);
const ServiceRoutesCoreSection = () => (
<>
Core routes are available in the open edition and map directly to gateway prefixes in
ligand-x/gateway/routers/proxy.py. These routes are expected to be stable entry points
for first-time users and automation clients.
Pro routes are entitlement-gated in the gateway via entitlement_for_path() from
ligand-x/lib/licensing/module_registry.py. Requests to these prefixes return
403 license_required when the license does not include the required module.
Route handling order is intentional: explicit gateway routers are included first, then the catch-all
proxy router. This keeps high-value paths stable and allows route-specific behavior (timeouts, SSE,
auth exceptions) before generic forwarding.
Left navigation moves between reference pages. The right sidebar stays focused on section anchors for the current page.
All requests target port 8000, and authenticated routes require X-API-Key.
Base URL: http://localhost:8000Content-Type: application/jsonOpenAPI at /docs