@pipeworx/mcp-cactus 0.1.0

package/LICENSE

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+MIT License
+
+Copyright (c) 2026 Pipeworx
+
+Permission is hereby granted, free of charge, to any person obtaining a copy
+of this software and associated documentation files (the "Software"), to deal
+in the Software without restriction, including without limitation the rights
+to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
+copies of the Software, and to permit persons to whom the Software is
+furnished to do so, subject to the following conditions:
+
+The above copyright notice and this permission notice shall be included in all
+copies or substantial portions of the Software.
+
+THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
+IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
+FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
+AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
+LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
+OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE
+SOFTWARE.

package/README.md

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+# mcp-cactus
+
+NCI CACTUS Chemical Identifier Resolver MCP.
+
+Part of [Pipeworx](https://pipeworx.io) — an MCP gateway connecting AI agents to 808+ live data sources.
+
+## Tools
+
+| Tool | Description |
+|------|-------------|
+
+## Quick Start
+
+Add to your MCP client (Claude Desktop, Cursor, Windsurf, etc.):
+
+```json
+{
+  "mcpServers": {
+    "cactus": {
+      "url": "https://gateway.pipeworx.io/cactus/mcp"
+    }
+  }
+}
+```
+
+Or connect to the full Pipeworx gateway for access to all 808+ data sources:
+
+```json
+{
+  "mcpServers": {
+    "pipeworx": {
+      "url": "https://gateway.pipeworx.io/mcp"
+    }
+  }
+}
+```
+
+## Using with ask_pipeworx
+
+Instead of calling tools directly, you can ask questions in plain English:
+
+```
+ask_pipeworx({ question: "your question about Cactus data" })
+```
+
+The gateway picks the right tool and fills the arguments automatically.
+
+## More
+
+- [All tools and guides](https://github.com/pipeworx-io/examples)
+- [pipeworx.io](https://pipeworx.io)
+
+## License
+
+MIT

package/package.json

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+{
+  "name": "@pipeworx/mcp-cactus",
+  "version": "0.1.0",
+  "description": "NCI CACTUS Chemical Identifier Resolver MCP.",
+  "type": "module",
+  "main": "src/index.ts",
+  "types": "src/index.ts",
+  "keywords": ["mcp", "mcp-server", "model-context-protocol", "pipeworx", "cactus"],
+  "license": "MIT",
+  "repository": {
+    "type": "git",
+    "url": "https://github.com/pipeworx-io/mcp-cactus"
+  },
+  "scripts": {
+    "typecheck": "tsc --noEmit"
+  },
+  "devDependencies": {
+    "typescript": "^5.7.0"
+  }
+}

package/server.json

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+{
+  "$schema": "https://static.modelcontextprotocol.io/schemas/2025-12-11/server.schema.json",
+  "name": "io.github.pipeworx-io/cactus",
+  "title": "Cactus",
+  "description": "NCI CACTUS Chemical Identifier Resolver MCP.",
+  "version": "0.1.0",
+  "websiteUrl": "https://pipeworx.io/packs/cactus",
+  "repository": {
+    "url": "https://github.com/pipeworx-io/mcp-cactus",
+    "source": "github"
+  },
+  "remotes": [
+    {
+      "type": "streamable-http",
+      "url": "https://gateway.pipeworx.io/cactus/mcp"
+    }
+  ]
+}

package/src/index.ts

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+interface McpToolDefinition {
+  name: string;
+  description: string;
+  inputSchema: {
+    type: 'object';
+    properties: Record<string, unknown>;
+    required?: string[];
+  };
+}
+
+interface McpToolExport {
+  tools: McpToolDefinition[];
+  callTool: (name: string, args: Record<string, unknown>) => Promise<unknown>;
+  meter?: { credits: number };
+  cost?: Record<string, unknown>;
+  provider?: string;
+}
+
+/**
+ * NCI CACTUS Chemical Identifier Resolver MCP.
+ *
+ * Keyless, plain-text API (NOT JSON). Converts between chemical identifiers
+ * (name, CAS, SMILES, InChI, InChIKey) and computes basic properties.
+ */
+
+
+const BASE = 'https://cactus.nci.nih.gov/chemical/structure';
+const UA = 'pipeworx/1.0 (+https://pipeworx.io)';
+
+const REPRESENTATIONS = [
+  'smiles',
+  'stdinchi',
+  'stdinchikey',
+  'iupac_name',
+  'names',
+  'formula',
+  'mw',
+  'cas',
+];
+
+const tools: McpToolExport['tools'] = [
+  {
+    name: 'resolve',
+    description:
+      'NCI CACTUS chemical identifier resolver. Convert one chemical identifier (a drug/chemical name, CAS number, SMILES, InChI, or InChIKey) into a single representation: smiles (canonical SMILES), stdinchi (standard InChI), stdinchikey (standard InChIKey), iupac_name, names (synonym list), formula (molecular formula), mw (molecular weight), or cas (CAS registry number(s)). Keyless, plain-text API.',
+    inputSchema: {
+      type: 'object',
+      properties: {
+        identifier: {
+          type: 'string',
+          description: 'Chemical name, CAS number, SMILES, InChI, or InChIKey (e.g. "aspirin", "50-78-2", "CC(=O)Oc1ccccc1C(O)=O").',
+        },
+        representation: {
+          type: 'string',
+          description: 'One of: smiles, stdinchi, stdinchikey, iupac_name, names, formula, mw, cas.',
+        },
+      },
+      required: ['identifier', 'representation'],
+    },
+  },
+  {
+    name: 'identify',
+    description:
+      'NCI CACTUS one-shot lookup: given any chemical identifier (name, CAS, SMILES, InChI, or InChIKey), return SMILES, InChIKey, IUPAC name, molecular formula, molecular weight, and CAS number in a single call. Fields that cannot be resolved are returned as null. Keyless, plain-text API.',
+    inputSchema: {
+      type: 'object',
+      properties: {
+        identifier: {
+          type: 'string',
+          description: 'Chemical name, CAS number, SMILES, InChI, or InChIKey (e.g. "ibuprofen", "15687-27-1").',
+        },
+      },
+      required: ['identifier'],
+    },
+  },
+];
+
+async function callTool(name: string, args: Record<string, unknown>): Promise<unknown> {
+  try {
+    switch (name) {
+      case 'resolve':
+        return await resolve(args);
+      case 'identify':
+        return await identify(args);
+      default:
+        return { error: `Unknown tool: ${name}` };
+    }
+  } catch (e) {
+    return { error: e instanceof Error ? e.message : String(e) };
+  }
+}
+
+async function resolve(args: Record<string, unknown>): Promise<unknown> {
+  const identifier = args.identifier;
+  if (typeof identifier !== 'string' || !identifier.trim()) {
+    return { error: 'identifier is required (a chemical name, CAS, SMILES, InChI, or InChIKey)' };
+  }
+  const representation = args.representation;
+  if (typeof representation !== 'string' || !REPRESENTATIONS.includes(representation)) {
+    return { error: 'invalid representation', valid: REPRESENTATIONS };
+  }
+
+  const text = await fetchRep(identifier, representation);
+  if (text === null) {
+    return { error: 'could not resolve', identifier, representation };
+  }
+  const value = text.trim();
+  if (representation === 'names' || representation === 'cas') {
+    const values = value.split('\n').map((s) => s.trim()).filter(Boolean);
+    return { identifier, representation, value: values.join('\n'), values };
+  }
+  return { identifier, representation, value };
+}
+
+async function identify(args: Record<string, unknown>): Promise<unknown> {
+  const identifier = args.identifier;
+  if (typeof identifier !== 'string' || !identifier.trim()) {
+    return { error: 'identifier is required (a chemical name, CAS, SMILES, InChI, or InChIKey)' };
+  }
+
+  const reps = ['smiles', 'stdinchikey', 'iupac_name', 'formula', 'mw', 'cas'] as const;
+  const settled = await Promise.allSettled(reps.map((rep) => fetchRep(identifier, rep)));
+
+  const get = (i: number): string | null => {
+    const r = settled[i];
+    if (r.status !== 'fulfilled' || r.value === null) return null;
+    const v = r.value.trim();
+    return v ? v : null;
+  };
+
+  const smiles = get(0);
+  let inchikey = get(1);
+  if (inchikey && inchikey.startsWith('InChIKey=')) inchikey = inchikey.slice('InChIKey='.length);
+  const iupac_name = get(2);
+  const formula = get(3);
+  const mwRaw = get(4);
+  const casRaw = get(5);
+
+  if (smiles === null && inchikey === null && iupac_name === null && formula === null && mwRaw === null && casRaw === null) {
+    return { error: 'could not resolve any properties', identifier };
+  }
+
+  let mw: number | string | null = null;
+  if (mwRaw !== null) {
+    const n = Number(mwRaw);
+    mw = Number.isFinite(n) ? n : mwRaw;
+  }
+
+  const cas = casRaw !== null ? casRaw.split('\n')[0].trim() || null : null;
+
+  return { identifier, smiles, inchikey, iupac_name, formula, mw, cas };
+}
+
+/**
+ * Fetch a single representation as plain text. Returns the text on HTTP 200,
+ * or null on any non-200 (not resolvable) or fetch/parse error.
+ */
+async function fetchRep(identifier: string, representation: string): Promise<string | null> {
+  try {
+    const url = `${BASE}/${encodeURIComponent(identifier)}/${representation}`;
+    const res = await fetch(url, { headers: { 'User-Agent': UA } });
+    if (!res.ok) return null;
+    return await res.text();
+  } catch {
+    return null;
+  }
+}
+
+export default { tools, callTool, meter: { credits: 1 } } satisfies McpToolExport;

package/tsconfig.json

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+{
+  "compilerOptions": {
+    "target": "ES2022",
+    "module": "ESNext",
+    "moduleResolution": "bundler",
+    "strict": true,
+    "esModuleInterop": true,
+    "skipLibCheck": true,
+    "outDir": "dist",
+    "rootDir": "src",
+    "declaration": true
+  },
+  "include": ["src"]
+}