@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 CHANGED
@@ -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
@@ -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</b></p>
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- <p><b>8 Tools</b></p>
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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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- [![Version](https://img.shields.io/badge/Version-0.1.18-blue.svg?style=flat-square)](./CHANGELOG.md) [![Framework](https://img.shields.io/badge/Built%20on-@cyanheads/mcp--ts--core-259?style=flat-square)](https://www.npmjs.com/package/@cyanheads/mcp-ts-core) [![MCP SDK](https://img.shields.io/badge/MCP%20SDK-^1.29.0-green.svg?style=flat-square)](https://modelcontextprotocol.io/) [![License](https://img.shields.io/badge/License-Apache%202.0-orange.svg?style=flat-square)](./LICENSE) [![TypeScript](https://img.shields.io/badge/TypeScript-^6.0.3-3178C6.svg?style=flat-square)](https://www.typescriptlang.org/) [![Bun](https://img.shields.io/badge/Bun-^1.2.0-f472b6.svg?style=flat-square)](https://bun.sh/)
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+ [![Version](https://img.shields.io/badge/Version-0.1.20-blue.svg?style=flat-square)](./CHANGELOG.md) [![License](https://img.shields.io/badge/License-Apache%202.0-orange.svg?style=flat-square)](./LICENSE) [![Docker](https://img.shields.io/badge/Docker-ghcr.io-2496ED?style=flat-square&logo=docker&logoColor=white)](https://github.com/users/cyanheads/packages/container/package/pubchem-mcp-server) [![MCP SDK](https://img.shields.io/badge/MCP%20SDK-^1.29.0-green.svg?style=flat-square)](https://modelcontextprotocol.io/) [![npm](https://img.shields.io/npm/v/@cyanheads/pubchem-mcp-server?style=flat-square&logo=npm&logoColor=white)](https://www.npmjs.com/package/@cyanheads/pubchem-mcp-server) [![TypeScript](https://img.shields.io/badge/TypeScript-^6.0.3-3178C6.svg?style=flat-square)](https://www.typescriptlang.org/) [![Bun](https://img.shields.io/badge/Bun-^1.3.0-f472b6.svg?style=flat-square)](https://bun.sh/)
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+
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+ </div>
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+
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+ <div align="center">
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+
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+ [![Install in Claude Desktop](https://img.shields.io/badge/Install_in-Claude_Desktop-D97757?style=for-the-badge&logo=anthropic&logoColor=white)](https://github.com/cyanheads/pubchem-mcp-server/releases/latest/download/pubchem-mcp-server.mcpb) [![Install in Cursor](https://cursor.com/deeplink/mcp-install-dark.svg)](https://cursor.com/en/install-mcp?name=pubchem-mcp-server&config=eyJ0eXBlIjoic3RkaW8iLCJjb21tYW5kIjoiYnVueCIsImFyZ3MiOlsiQGN5YW5oZWFkcy9wdWJjaGVtLW1jcC1zZXJ2ZXJAbGF0ZXN0Il0sImVudiI6eyJNQ1BfVFJBTlNQT1JUX1RZUEUiOiJzdGRpbyIsIk1DUF9MT0dfTEVWRUwiOiJpbmZvIn19) [![Install in VS Code](https://img.shields.io/badge/VS_Code-Install_Server-0098FF?style=for-the-badge&logo=visualstudiocode&logoColor=white)](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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+
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+ [![Framework](https://img.shields.io/badge/Built%20on-@cyanheads/mcp--ts--core-67E8F9?style=flat-square)](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 v1.2.0](https://bun.sh/) or higher (or Node.js v22+)
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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
@@ -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',
package/dist/index.js.map CHANGED
@@ -1 +1 @@
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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"}
1
+ {"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"}
@@ -1 +1 @@
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- {"version":3,"file":"pubchem-client.d.ts","sourceRoot":"","sources":["../../../src/services/pubchem/pubchem-client.ts"],"names":[],"mappings":"AAAA;;;;GAIG;AAEH,OAAO,KAAK,EAGV,cAAc,EAEd,sBAAsB,EACtB,iBAAiB,EAQlB,MAAM,YAAY,CAAC;AA4MpB,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;YAgDT,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;CA+B3C;AAMD,wBAAgB,iBAAiB,IAAI,IAAI,CAExC;AAED,wBAAgB,gBAAgB,IAAI,aAAa,CAIhD"}
1
+ {"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"}
@@ -3,7 +3,9 @@
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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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  */
6
- import { PubChemNotFoundError } from './types.js';
6
+ import { JsonRpcErrorCode, McpError } from '@cyanheads/mcp-ts-core/errors';
7
+ import { httpStatusToErrorCode } from '@cyanheads/mcp-ts-core/utils';
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+ const isNotFound = (error) => error instanceof McpError && error.code === JsonRpcErrorCode.NotFound;
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  // ── Rate Limiter ─────────────────────────────────────────────────────
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  /** Sliding-window rate limiter. Queues requests exceeding maxPerSecond. */
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  class RateLimiter {
@@ -206,20 +208,17 @@ export class PubChemClient {
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  }
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  const text = await response.text();
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  const message = parseFaultMessage(text) ?? text.slice(0, 300);
209
- if (response.status === 404) {
210
- throw new PubChemNotFoundError(message);
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- }
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  // Retry once on 5xx
213
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  if (response.status >= 500 && attempt < 1) {
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  await sleep(1000 * 2 ** attempt);
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  continue;
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  }
217
- throw new Error(`PubChem HTTP ${response.status}: ${message}`);
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+ const code = httpStatusToErrorCode(response.status) ?? JsonRpcErrorCode.InternalError;
217
+ throw new McpError(code, message, { url, status: response.status });
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  }
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  catch (error) {
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- if (error instanceof PubChemNotFoundError)
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- throw error;
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- if (error instanceof Error && error.message.startsWith('PubChem HTTP 4'))
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+ // HTTP errors are already classified — surface them, don't retry.
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+ if (error instanceof McpError)
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  throw error;
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  // Retry once on network errors
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  if (attempt < 1) {
@@ -245,9 +244,8 @@ export class PubChemClient {
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  if (!response.ok) {
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  const text = await response.text();
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  const message = parseFaultMessage(text) ?? text.slice(0, 300);
248
- if (response.status === 404)
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- throw new PubChemNotFoundError(message);
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- throw new Error(`PubChem HTTP ${response.status}: ${message}`);
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+ const code = httpStatusToErrorCode(response.status) ?? JsonRpcErrorCode.InternalError;
248
+ throw new McpError(code, message, { url, status: response.status });
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  }
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  return await response.arrayBuffer();
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  }
@@ -265,7 +263,7 @@ export class PubChemClient {
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  return data.IdentifierList.CID;
266
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  }
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  catch (error) {
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- if (error instanceof PubChemNotFoundError)
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+ if (isNotFound(error))
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  return [];
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  throw error;
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  }
@@ -282,7 +280,7 @@ export class PubChemClient {
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  return data.IdentifierList.CID;
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  }
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  catch (error) {
285
- if (error instanceof PubChemNotFoundError)
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+ if (isNotFound(error))
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  return [];
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  throw error;
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  }
@@ -348,7 +346,7 @@ export class PubChemClient {
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  return data.InformationList.Information[0]?.Synonym ?? [];
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  }
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  catch (error) {
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- if (error instanceof PubChemNotFoundError)
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+ if (isNotFound(error))
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  return [];
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  throw error;
354
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  }
@@ -367,7 +365,7 @@ export class PubChemClient {
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  return Array.isArray(values) ? values : [];
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  }
369
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  catch (error) {
370
- if (error instanceof PubChemNotFoundError)
368
+ if (isNotFound(error))
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  return [];
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  throw error;
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  }
@@ -395,7 +393,7 @@ export class PubChemClient {
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  });
396
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  }
397
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  catch (error) {
398
- if (error instanceof PubChemNotFoundError)
396
+ if (isNotFound(error))
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  return [];
400
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  throw error;
401
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  }
@@ -454,7 +452,7 @@ export class PubChemClient {
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  : null;
455
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  }
456
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  catch (error) {
457
- if (error instanceof PubChemNotFoundError)
455
+ if (isNotFound(error))
458
456
  return null;
459
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  throw error;
460
458
  }
@@ -522,7 +520,7 @@ export class PubChemClient {
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  return hasData ? result : null;
523
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  }
524
522
  catch (error) {
525
- if (error instanceof PubChemNotFoundError)
523
+ if (isNotFound(error))
526
524
  return null;
527
525
  throw error;
528
526
  }
@@ -534,7 +532,7 @@ export class PubChemClient {
534
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  return this.parseAssayTable(data);
535
533
  }
536
534
  catch (error) {
537
- if (error instanceof PubChemNotFoundError)
535
+ if (isNotFound(error))
538
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  return [];
539
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  throw error;
540
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  }
@@ -615,7 +613,7 @@ export class PubChemClient {
615
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  return data.IdentifierList.AID;
616
614
  }
617
615
  catch (error) {
618
- if (error instanceof PubChemNotFoundError)
616
+ if (isNotFound(error))
619
617
  return [];
620
618
  throw error;
621
619
  }
@@ -645,11 +643,12 @@ export class PubChemClient {
645
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  return arr[0] ?? null;
646
644
  }
647
645
  catch (error) {
648
- if (error instanceof PubChemNotFoundError)
646
+ if (isNotFound(error))
649
647
  return null;
650
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  // PubChem returns HTTP 400 (not 404) for nonexistent entity IDs in some endpoints
651
- if (error instanceof Error && /PubChem HTTP 400/.test(error.message))
649
+ if (error instanceof McpError && error.data?.status === 400) {
652
650
  return null;
651
+ }
653
652
  throw error;
654
653
  }
655
654
  }
@@ -1 +1 @@
1
- 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@@ -157,10 +157,6 @@ export interface DrugLikenessAssessment {
157
157
  violations: number;
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  };
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  }
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- /** Structured error from PubChem API */
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- export declare class PubChemNotFoundError extends Error {
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- name: "PubChemNotFoundError";
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- }
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  /** All valid PubChem compound property names */
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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 */
@@ -1 +1 @@
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,wCAAwC;AACxC,MAAM,OAAO,oBAAqB,SAAQ,KAAK;IACpC,IAAI,GAAG,sBAA+B,CAAC;CACjD;AAED,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"}
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": "0.1.18",
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": ">=22.0.0",
56
- "bun": ">=1.2.0"
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": "^0.8.15",
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": "^2.4.14",
68
- "@types/node": "^25.6.0",
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": "^4.1.5"
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": "0.1.18",
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": "0.1.18",
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": "0.1.18",
45
+ "version": "0.1.20",
46
46
  "packageArguments": [
47
47
  { "type": "positional", "value": "run" },
48
48
  { "type": "positional", "value": "start:http" }