@cyanheads/pubchem-mcp-server 0.1.18 → 0.1.20
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- package/Dockerfile +2 -2
- package/README.md +13 -4
- package/dist/index.js +1 -0
- package/dist/index.js.map +1 -1
- package/dist/services/pubchem/pubchem-client.d.ts.map +1 -1
- package/dist/services/pubchem/pubchem-client.js +21 -22
- package/dist/services/pubchem/pubchem-client.js.map +1 -1
- package/dist/services/pubchem/types.d.ts +0 -4
- package/dist/services/pubchem/types.d.ts.map +1 -1
- package/dist/services/pubchem/types.js +0 -5
- package/dist/services/pubchem/types.js.map +1 -1
- package/manifest.json +34 -0
- package/package.json +17 -9
- package/server.json +3 -3
package/Dockerfile
CHANGED
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@@ -4,7 +4,7 @@
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# This stage installs all dependencies (including dev), builds the TypeScript
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# source code into JavaScript, and prepares the production assets.
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# ==============================================================================
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FROM oven/bun:1 AS build
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FROM oven/bun:1.3 AS build
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WORKDIR /usr/src/app
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@@ -28,7 +28,7 @@ RUN bun run build
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# application. It uses a slim base image and only includes production
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# dependencies and build artifacts.
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# ==============================================================================
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FROM oven/bun:1-slim AS production
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FROM oven/bun:1.3-slim AS production
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WORKDIR /usr/src/app
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package/README.md
CHANGED
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@@ -1,12 +1,21 @@
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<div align="center">
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<h1>@cyanheads/pubchem-mcp-server</h1>
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<p><b>MCP server for the PubChem chemical database. Search compounds, fetch properties, safety data, bioactivity, cross-references, and entity summaries. STDIO & Streamable HTTP
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<
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<p><b>MCP server for the PubChem chemical database. Search compounds, fetch properties, safety data, bioactivity, cross-references, and entity summaries. STDIO & Streamable HTTP.</b>
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<div>8 Tools</div>
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</p>
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</div>
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<div align="center">
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[](./CHANGELOG.md) [](./LICENSE) [](https://github.com/users/cyanheads/packages/container/package/pubchem-mcp-server) [](https://modelcontextprotocol.io/) [](https://www.npmjs.com/package/@cyanheads/pubchem-mcp-server) [](https://www.typescriptlang.org/) [](https://bun.sh/)
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</div>
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<div align="center">
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[](https://github.com/cyanheads/pubchem-mcp-server/releases/latest/download/pubchem-mcp-server.mcpb) [](https://cursor.com/en/install-mcp?name=pubchem-mcp-server&config=eyJ0eXBlIjoic3RkaW8iLCJjb21tYW5kIjoiYnVueCIsImFyZ3MiOlsiQGN5YW5oZWFkcy9wdWJjaGVtLW1jcC1zZXJ2ZXJAbGF0ZXN0Il0sImVudiI6eyJNQ1BfVFJBTlNQT1JUX1RZUEUiOiJzdGRpbyIsIk1DUF9MT0dfTEVWRUwiOiJpbmZvIn19) [](https://vscode.dev/redirect?url=vscode:mcp/install?%7B%22name%22%3A%22pubchem-mcp-server%22%2C%22config%22%3A%7B%22type%22%3A%22stdio%22%2C%22command%22%3A%22bunx%22%2C%22args%22%3A%5B%22%40cyanheads%2Fpubchem-mcp-server%40latest%22%5D%2C%22env%22%3A%7B%22MCP_TRANSPORT_TYPE%22%3A%22stdio%22%2C%22MCP_LOG_LEVEL%22%3A%22info%22%7D%7D%7D)
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[](https://www.npmjs.com/package/@cyanheads/mcp-ts-core)
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</div>
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@@ -131,7 +140,7 @@ Add to your MCP client config (e.g., `claude_desktop_config.json`):
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### Prerequisites
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-
- [Bun v1.
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- [Bun v1.3.0](https://bun.sh/) or higher (or Node.js v24+)
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### Installation
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package/dist/index.js
CHANGED
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@@ -9,6 +9,7 @@ import { allToolDefinitions } from './mcp-server/tools/definitions/index.js';
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import { initPubChemClient } from './services/pubchem/pubchem-client.js';
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await createApp({
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tools: allToolDefinitions,
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instructions: "Use the pubchem_* tools to query PubChem's chemical database. Compounds are addressed by CID, assays by AID. Most flows start at `pubchem_search_compounds` (name, SMILES, InChIKey, formula, substructure, superstructure, or 2D similarity → CIDs), then call per-CID tools for details, safety, image, cross-references, or bioactivity. For bioassays by biological target, chain `pubchem_search_assays` (gene/protein → AIDs) into `pubchem_get_bioactivity`. `pubchem_get_summary` covers assay/gene/protein/taxonomy entity lookups.",
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landing: {
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tagline: 'Search PubChem for chemical compounds, properties, safety, bioactivity, and cross-references.',
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repoRoot: 'https://github.com/cyanheads/pubchem-mcp-server',
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package/dist/index.js.map
CHANGED
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-
{"version":3,"file":"index.js","sourceRoot":"","sources":["../src/index.ts"],"names":[],"mappings":";AACA;;;;GAIG;AAEH,OAAO,EAAE,SAAS,EAAE,MAAM,wBAAwB,CAAC;AACnD,OAAO,EAAE,kBAAkB,EAAE,MAAM,yCAAyC,CAAC;AAC7E,OAAO,EAAE,iBAAiB,EAAE,MAAM,sCAAsC,CAAC;AAEzE,MAAM,SAAS,CAAC;IACd,KAAK,EAAE,kBAAkB;IACzB,OAAO,EAAE;QACP,OAAO,EACL,+FAA+F;QACjG,QAAQ,EAAE,iDAAiD;QAC3D,KAAK,EAAE;YACL,EAAE,KAAK,EAAE,SAAS,EAAE,IAAI,EAAE,mCAAmC,EAAE,QAAQ,EAAE,IAAI,EAAE;YAC/E;gBACE,KAAK,EAAE,eAAe;gBACtB,IAAI,EAAE,gDAAgD;gBACtD,QAAQ,EAAE,IAAI;aACf;YACD;gBACE,KAAK,EAAE,eAAe;gBACtB,IAAI,EAAE,gDAAgD;gBACtD,QAAQ,EAAE,IAAI;aACf;SACF;KACF;IACD,KAAK;QACH,iBAAiB,EAAE,CAAC;IACtB,CAAC;CACF,CAAC,CAAC"}
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{"version":3,"file":"index.js","sourceRoot":"","sources":["../src/index.ts"],"names":[],"mappings":";AACA;;;;GAIG;AAEH,OAAO,EAAE,SAAS,EAAE,MAAM,wBAAwB,CAAC;AACnD,OAAO,EAAE,kBAAkB,EAAE,MAAM,yCAAyC,CAAC;AAC7E,OAAO,EAAE,iBAAiB,EAAE,MAAM,sCAAsC,CAAC;AAEzE,MAAM,SAAS,CAAC;IACd,KAAK,EAAE,kBAAkB;IACzB,YAAY,EACV,8gBAA8gB;IAChhB,OAAO,EAAE;QACP,OAAO,EACL,+FAA+F;QACjG,QAAQ,EAAE,iDAAiD;QAC3D,KAAK,EAAE;YACL,EAAE,KAAK,EAAE,SAAS,EAAE,IAAI,EAAE,mCAAmC,EAAE,QAAQ,EAAE,IAAI,EAAE;YAC/E;gBACE,KAAK,EAAE,eAAe;gBACtB,IAAI,EAAE,gDAAgD;gBACtD,QAAQ,EAAE,IAAI;aACf;YACD;gBACE,KAAK,EAAE,eAAe;gBACtB,IAAI,EAAE,gDAAgD;gBACtD,QAAQ,EAAE,IAAI;aACf;SACF;KACF;IACD,KAAK;QACH,iBAAiB,EAAE,CAAC;IACtB,CAAC;CACF,CAAC,CAAC"}
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{"version":3,"file":"pubchem-client.d.ts","sourceRoot":"","sources":["../../../src/services/pubchem/pubchem-client.ts"],"names":[],"mappings":"AAAA;;;;GAIG;
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{"version":3,"file":"pubchem-client.d.ts","sourceRoot":"","sources":["../../../src/services/pubchem/pubchem-client.ts"],"names":[],"mappings":"AAAA;;;;GAIG;AAIH,OAAO,KAAK,EAGV,cAAc,EAEd,sBAAsB,EACtB,iBAAiB,EAQlB,MAAM,YAAY,CAAC;AA8MpB,qBAAa,aAAa;IACxB,OAAO,CAAC,QAAQ,CAAC,OAAO,CAA+C;IACvE,OAAO,CAAC,QAAQ,CAAC,QAAQ,CAAoD;IAC7E,OAAO,CAAC,QAAQ,CAAC,WAAW,CAAsB;YAIpC,SAAS;YA6CT,WAAW;IAwBzB,wEAAwE;YAC1D,SAAS;IAWvB,qDAAqD;YACvC,WAAW;IAgBzB,YAAY,CAAC,IAAI,EAAE,MAAM,GAAG,OAAO,CAAC,MAAM,EAAE,CAAC;IAI7C,cAAc,CAAC,MAAM,EAAE,MAAM,GAAG,OAAO,CAAC,MAAM,EAAE,CAAC;IAQjD,gBAAgB,CAAC,QAAQ,EAAE,MAAM,GAAG,OAAO,CAAC,MAAM,EAAE,CAAC;IAMrD,eAAe,CAAC,OAAO,EAAE,MAAM,EAAE,UAAU,UAAQ,GAAG,OAAO,CAAC,MAAM,EAAE,CAAC;IAOvE,iBAAiB,CACf,IAAI,EAAE,cAAc,GAAG,gBAAgB,GAAG,YAAY,EACtD,KAAK,EAAE,MAAM,EACb,SAAS,EAAE,QAAQ,GAAG,KAAK,EAC3B,SAAS,CAAC,EAAE,MAAM,GACjB,OAAO,CAAC,MAAM,EAAE,CAAC;IA2Bd,aAAa,CACjB,IAAI,EAAE,MAAM,EAAE,EACd,UAAU,EAAE,MAAM,EAAE,GACnB,OAAO,CAAC,KAAK,CAAC,MAAM,CAAC,MAAM,EAAE,OAAO,CAAC,GAAG;QAAE,GAAG,EAAE,MAAM,CAAA;KAAE,CAAC,CAAC;IA0BtD,WAAW,CAAC,GAAG,EAAE,MAAM,GAAG,OAAO,CAAC,MAAM,EAAE,CAAC;IAYjD,QAAQ,CAAC,GAAG,EAAE,MAAM,EAAE,IAAI,GAAE,OAAO,GAAG,OAAiB,GAAG,OAAO,CAAC,WAAW,CAAC;IAKxE,QAAQ,CAAC,GAAG,EAAE,MAAM,EAAE,QAAQ,EAAE,MAAM,GAAG,OAAO,CAAC,CAAC,MAAM,GAAG,MAAM,CAAC,EAAE,CAAC;IAiBrE,cAAc,CAAC,GAAG,EAAE,MAAM,GAAG,OAAO,CAAC,KAAK,CAAC;QAAE,MAAM,CAAC,EAAE,MAAM,CAAC;QAAC,IAAI,EAAE,MAAM,CAAA;KAAE,CAAC,CAAC;IA8B9E,aAAa,CAAC,GAAG,EAAE,MAAM,GAAG,OAAO,CAAC,iBAAiB,GAAG,IAAI,CAAC;IAgE7D,iBAAiB,CAAC,GAAG,EAAE,MAAM,GAAG,OAAO,CAAC,sBAAsB,GAAG,IAAI,CAAC;IAwEtE,eAAe,CAAC,GAAG,EAAE,MAAM,GAAG,OAAO,CAAC,cAAc,EAAE,CAAC;IAY7D,OAAO,CAAC,eAAe;IA0EjB,oBAAoB,CAAC,UAAU,EAAE,MAAM,EAAE,KAAK,EAAE,MAAM,GAAG,OAAO,CAAC,MAAM,EAAE,CAAC;IAgB1E,gBAAgB,CACpB,UAAU,EAAE,MAAM,EAClB,UAAU,EAAE,MAAM,GAAG,MAAM,GAC1B,OAAO,CAAC,MAAM,CAAC,MAAM,EAAE,OAAO,CAAC,GAAG,IAAI,CAAC;CAiC3C;AAMD,wBAAgB,iBAAiB,IAAI,IAAI,CAExC;AAED,wBAAgB,gBAAgB,IAAI,aAAa,CAIhD"}
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* Wraps both PUG REST and PUG View APIs behind a shared rate limiter.
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* @module services/pubchem/pubchem-client
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*/
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import {
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const isNotFound = (error) => error instanceof McpError && error.code === JsonRpcErrorCode.NotFound;
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// ── Rate Limiter ─────────────────────────────────────────────────────
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}
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}
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throw new McpError(code, message, { url, status: response.status });
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throw error;
|
|
654
653
|
}
|
|
655
654
|
}
|
|
@@ -1 +1 @@
|
|
|
1
|
-
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1
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+
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@@ -157,10 +157,6 @@ export interface DrugLikenessAssessment {
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157
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violations: number;
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158
158
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};
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159
159
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}
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160
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-
/** Structured error from PubChem API */
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161
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-
export declare class PubChemNotFoundError extends Error {
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162
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-
name: "PubChemNotFoundError";
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163
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-
}
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/** All valid PubChem compound property names */
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165
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export declare const COMPOUND_PROPERTIES: readonly ["MolecularFormula", "MolecularWeight", "CanonicalSMILES", "IsomericSMILES", "InChI", "InChIKey", "IUPACName", "Title", "XLogP", "ExactMass", "MonoisotopicMass", "TPSA", "Complexity", "Charge", "HBondDonorCount", "HBondAcceptorCount", "RotatableBondCount", "HeavyAtomCount", "IsotopeAtomCount", "AtomStereoCount", "DefinedAtomStereoCount", "UndefinedAtomStereoCount", "BondStereoCount", "DefinedBondStereoCount", "UndefinedBondStereoCount", "CovalentUnitCount", "Volume3D"];
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/** Default properties when none specified */
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@@ -1 +1 @@
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1
|
-
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|
|
1
|
+
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|
|
@@ -2,11 +2,6 @@
|
|
|
2
2
|
* @fileoverview PubChem API response types and shared constants.
|
|
3
3
|
* @module services/pubchem/types
|
|
4
4
|
*/
|
|
5
|
-
// ── PubChem error ────────────────────────────────────────────────────
|
|
6
|
-
/** Structured error from PubChem API */
|
|
7
|
-
export class PubChemNotFoundError extends Error {
|
|
8
|
-
name = 'PubChemNotFoundError';
|
|
9
|
-
}
|
|
10
5
|
// ── Constants ────────────────────────────────────────────────────────
|
|
11
6
|
/** All valid PubChem compound property names */
|
|
12
7
|
export const COMPOUND_PROPERTIES = [
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"types.js","sourceRoot":"","sources":["../../../src/services/pubchem/types.ts"],"names":[],"mappings":"AAAA;;;GAGG;AAgJH,wEAAwE;AAExE,
|
|
1
|
+
{"version":3,"file":"types.js","sourceRoot":"","sources":["../../../src/services/pubchem/types.ts"],"names":[],"mappings":"AAAA;;;GAGG;AAgJH,wEAAwE;AAExE,gDAAgD;AAChD,MAAM,CAAC,MAAM,mBAAmB,GAAG;IACjC,kBAAkB;IAClB,iBAAiB;IACjB,iBAAiB;IACjB,gBAAgB;IAChB,OAAO;IACP,UAAU;IACV,WAAW;IACX,OAAO;IACP,OAAO;IACP,WAAW;IACX,kBAAkB;IAClB,MAAM;IACN,YAAY;IACZ,QAAQ;IACR,iBAAiB;IACjB,oBAAoB;IACpB,oBAAoB;IACpB,gBAAgB;IAChB,kBAAkB;IAClB,iBAAiB;IACjB,wBAAwB;IACxB,0BAA0B;IAC1B,iBAAiB;IACjB,wBAAwB;IACxB,0BAA0B;IAC1B,mBAAmB;IACnB,UAAU;CACF,CAAC;AAEX,6CAA6C;AAC7C,MAAM,CAAC,MAAM,kBAAkB,GAAG;IAChC,kBAAkB;IAClB,iBAAiB;IACjB,WAAW;IACX,iBAAiB;IACjB,gBAAgB;IAChB,UAAU;IACV,OAAO;IACP,MAAM;IACN,iBAAiB;IACjB,oBAAoB;IACpB,oBAAoB;IACpB,gBAAgB;IAChB,QAAQ;IACR,YAAY;CACJ,CAAC;AAEX,sCAAsC;AACtC,MAAM,CAAC,MAAM,UAAU,GAAG;IACxB,YAAY;IACZ,IAAI;IACJ,UAAU;IACV,UAAU;IACV,QAAQ;IACR,WAAW;IACX,YAAY;CACJ,CAAC"}
|
package/manifest.json
ADDED
|
@@ -0,0 +1,34 @@
|
|
|
1
|
+
{
|
|
2
|
+
"manifest_version": "0.3",
|
|
3
|
+
"name": "pubchem-mcp-server",
|
|
4
|
+
"version": "0.1.20",
|
|
5
|
+
"description": "Search PubChem compounds, properties, safety data, bioactivity, cross-references, and entity summaries via MCP.",
|
|
6
|
+
"author": { "name": "cyanheads" },
|
|
7
|
+
"server": {
|
|
8
|
+
"type": "node",
|
|
9
|
+
"entry_point": "dist/index.js",
|
|
10
|
+
"mcp_config": {
|
|
11
|
+
"command": "node",
|
|
12
|
+
"args": ["${__dirname}/dist/index.js"],
|
|
13
|
+
"env": {
|
|
14
|
+
"MCP_TRANSPORT_TYPE": "stdio",
|
|
15
|
+
"MCP_AUTH_MODE": "none",
|
|
16
|
+
"NODE_ENV": "production"
|
|
17
|
+
}
|
|
18
|
+
}
|
|
19
|
+
},
|
|
20
|
+
"compatibility": {
|
|
21
|
+
"runtimes": { "node": ">=24.0.0" }
|
|
22
|
+
},
|
|
23
|
+
"tools_generated": true,
|
|
24
|
+
"prompts_generated": true,
|
|
25
|
+
"user_config": {
|
|
26
|
+
"MCP_LOG_LEVEL": {
|
|
27
|
+
"title": "Log Level",
|
|
28
|
+
"description": "Minimum log level for output (debug, info, warn, error).",
|
|
29
|
+
"type": "string",
|
|
30
|
+
"default": "info",
|
|
31
|
+
"required": false
|
|
32
|
+
}
|
|
33
|
+
}
|
|
34
|
+
}
|
package/package.json
CHANGED
|
@@ -1,6 +1,6 @@
|
|
|
1
1
|
{
|
|
2
2
|
"name": "@cyanheads/pubchem-mcp-server",
|
|
3
|
-
"version": "0.1.
|
|
3
|
+
"version": "0.1.20",
|
|
4
4
|
"description": "MCP server for the PubChem chemical database. Search compounds, fetch properties, safety data, bioactivity, cross-references, and entity summaries. STDIO & Streamable HTTP.",
|
|
5
5
|
"mcpName": "io.github.cyanheads/pubchem-mcp-server",
|
|
6
6
|
"type": "module",
|
|
@@ -9,15 +9,22 @@
|
|
|
9
9
|
"bin": {
|
|
10
10
|
"pubchem-mcp-server": "dist/index.js"
|
|
11
11
|
},
|
|
12
|
-
"files": ["dist/", "README.md", "LICENSE", "server.json", "Dockerfile"],
|
|
12
|
+
"files": ["dist/", "README.md", "LICENSE", "server.json", "manifest.json", "Dockerfile"],
|
|
13
13
|
"scripts": {
|
|
14
14
|
"build": "bun scripts/build.ts",
|
|
15
15
|
"rebuild": "bun scripts/clean.ts && bun scripts/build.ts",
|
|
16
16
|
"clean": "bun scripts/clean.ts",
|
|
17
17
|
"devcheck": "bun scripts/devcheck.ts",
|
|
18
|
+
"audit:refresh": "rm -f bun.lock && bun install && bun audit",
|
|
18
19
|
"tree": "bun scripts/tree.ts",
|
|
20
|
+
"list-skills": "bun scripts/list-skills.ts",
|
|
19
21
|
"format": "biome check --write --unsafe .",
|
|
20
22
|
"lint:mcp": "bun scripts/lint-mcp.ts",
|
|
23
|
+
"lint:packaging": "bun scripts/lint-packaging.ts",
|
|
24
|
+
"bundle": "bun run build && npx -y @anthropic-ai/mcpb pack . dist/pubchem-mcp-server.mcpb",
|
|
25
|
+
"changelog:build": "bun scripts/build-changelog.ts",
|
|
26
|
+
"changelog:check": "bun scripts/build-changelog.ts --check",
|
|
27
|
+
"publish-mcp": "mcp-publisher publish",
|
|
21
28
|
"test": "vitest run",
|
|
22
29
|
"start:stdio": "node dist/index.js",
|
|
23
30
|
"start:http": "MCP_TRANSPORT_TYPE=http node dist/index.js"
|
|
@@ -52,24 +59,25 @@
|
|
|
52
59
|
}
|
|
53
60
|
],
|
|
54
61
|
"engines": {
|
|
55
|
-
"node": ">=
|
|
56
|
-
"bun": ">=1.
|
|
62
|
+
"node": ">=24.0.0",
|
|
63
|
+
"bun": ">=1.3.0"
|
|
57
64
|
},
|
|
58
65
|
"packageManager": "bun@1.3.2",
|
|
59
66
|
"publishConfig": {
|
|
60
67
|
"access": "public"
|
|
61
68
|
},
|
|
62
69
|
"dependencies": {
|
|
63
|
-
"@cyanheads/mcp-ts-core": "^0.
|
|
64
|
-
"pino-pretty": "^13.1.3"
|
|
70
|
+
"@cyanheads/mcp-ts-core": "^0.9.6",
|
|
71
|
+
"pino-pretty": "^13.1.3",
|
|
72
|
+
"zod": "^4.4.3"
|
|
65
73
|
},
|
|
66
74
|
"devDependencies": {
|
|
67
|
-
"@biomejs/biome": "^2.4.
|
|
68
|
-
"@types/node": "^25.
|
|
75
|
+
"@biomejs/biome": "^2.4.15",
|
|
76
|
+
"@types/node": "^25.9.1",
|
|
69
77
|
"depcheck": "^1.4.7",
|
|
70
78
|
"ignore": "^7.0.5",
|
|
71
79
|
"tsc-alias": "^1.8.17",
|
|
72
80
|
"typescript": "^6.0.3",
|
|
73
|
-
"vitest": "^4.1.
|
|
81
|
+
"vitest": "^4.1.7"
|
|
74
82
|
}
|
|
75
83
|
}
|
package/server.json
CHANGED
|
@@ -6,7 +6,7 @@
|
|
|
6
6
|
"url": "https://github.com/cyanheads/pubchem-mcp-server",
|
|
7
7
|
"source": "github"
|
|
8
8
|
},
|
|
9
|
-
"version": "0.1.
|
|
9
|
+
"version": "0.1.20",
|
|
10
10
|
"remotes": [
|
|
11
11
|
{
|
|
12
12
|
"type": "streamable-http",
|
|
@@ -19,7 +19,7 @@
|
|
|
19
19
|
"registryBaseUrl": "https://registry.npmjs.org",
|
|
20
20
|
"identifier": "@cyanheads/pubchem-mcp-server",
|
|
21
21
|
"runtimeHint": "bun",
|
|
22
|
-
"version": "0.1.
|
|
22
|
+
"version": "0.1.20",
|
|
23
23
|
"packageArguments": [
|
|
24
24
|
{ "type": "positional", "value": "run" },
|
|
25
25
|
{ "type": "positional", "value": "start:stdio" }
|
|
@@ -42,7 +42,7 @@
|
|
|
42
42
|
"registryBaseUrl": "https://registry.npmjs.org",
|
|
43
43
|
"identifier": "@cyanheads/pubchem-mcp-server",
|
|
44
44
|
"runtimeHint": "bun",
|
|
45
|
-
"version": "0.1.
|
|
45
|
+
"version": "0.1.20",
|
|
46
46
|
"packageArguments": [
|
|
47
47
|
{ "type": "positional", "value": "run" },
|
|
48
48
|
{ "type": "positional", "value": "start:http" }
|