{"id":2752,"date":"2025-08-22T00:11:39","date_gmt":"2025-08-21T15:11:39","guid":{"rendered":"https:\/\/www.insilico.jp\/blog\/?p=2752"},"modified":"2025-08-22T12:09:15","modified_gmt":"2025-08-22T03:09:15","slug":"mcp_server","status":"publish","type":"post","link":"https:\/\/www.insilico.jp\/blog\/2025\/08\/22\/mcp_server\/","title":{"rendered":"\u5275\u85ac\u8a08\u7b97\u7528MCP\u30b5\u30fc\u30d0\u30fc\u306e\u4f5c\u6210"},"content":{"rendered":"\n<p>\u7406\u8ad6\u5275\u85ac\u7814\u7a76\u6240\u306e\u5409\u68ee\u3067\u3059\u3002\u4eca\u56de\u306fRDKit\u3092\u4f7f\u3063\u3066\u7c21\u5358\u306a\u5275\u85ac\u8a08\u7b97\u7528MCP\u30b5\u30fc\u30d0\u30fc\u3092Windows\u3067\u69cb\u7bc9\u3057\u305f\u3044\u3068\u601d\u3044\u307e\u3059\u3002<br><\/p>\n\n\n\n<h2 class=\"wp-block-heading\">MCP\u30b5\u30fc\u30d0\u30fc\u306e\u4f5c\u6210<\/h2>\n\n\n\n<p>Powershell\u3092\u7ba1\u7406\u8005\u6a29\u9650\u3067\u8d77\u52d5\u3059\u308b\u3002<\/p>\n\n\n\n<pre class=\"wp-block-code\"><code>&gt; powershell -ExecutionPolicy ByPass -c \"irm https:\/\/astral.sh\/uv\/install.ps1 | iex\"\n&gt; uv init rdkit_mcp\n&gt; cd rdkit_mcp\n&gt; uv venv\n&gt; .\\.venv\\Scripts\\activate\n&gt; uv add mcp&#091;cli] httpx rdkit\n<\/code><\/pre>\n\n\n\n<p>rdkit_mcp\u30d5\u30a9\u30eb\u30c0\u306btpsa_mcp.py\u3092\u914d\u7f6e\u3059\u308b\u3002<br>\u3053\u306e\u30b9\u30af\u30ea\u30d7\u30c8\u3067\u306f\u3001\u5206\u5b50\u306eTPSA\u306e\u8a08\u7b97\u3001\u4e26\u3073\u306b\u5404\u539f\u5b50\u306eTPSA\u306b\u5bfe\u3059\u308b\u5bc4\u4e0e\u3092\u8a08\u7b97\u3059\u308b\uff12\u3064\u306e\u95a2\u6570\u304c\u5b9f\u88c5\u3055\u308c\u3066\u3044\u308b\u3002<\/p>\n\n\n\n<pre class=\"wp-block-code\"><code><strong>tpsa_mcp.py:<\/strong>\nfrom mcp.server.fastmcp import FastMCP\nfrom rdkit import Chem\nfrom rdkit.Chem.Draw import SimilarityMaps,rdMolDraw2D\nfrom rdkit.Chem import rdMolDescriptors,Draw, Descriptors\nimport os\n\nmcp = FastMCP(\"atomic_mcp\", debug=True)\n\n@mcp.tool()\ndef atomic_tpsa_fig(smiles):\n\t\"\"\"\n\tSMILES\u304b\u3089rdkit mol\u30aa\u30d6\u30b8\u30a7\u30af\u30c8\u306b\u5909\u63db\u3092\u3057\u3001TPSA\u3092\u8a08\u7b97\u3057\u3066\u3001\u753b\u50cf\u30d5\u30a1\u30a4\u30eb\u3092\u4fdd\u5b58\u3059\u308b\u3002\n\t\u539f\u5b50\u3054\u3068\u306eTPSA\u306e\u5bc4\u4e0e\u304c\u308f\u304b\u308b\u3002\n\t\"\"\"\n\tmol = Chem.MolFromSmiles(smiles)\n\ttpsa = rdMolDescriptors._CalcTPSAContribs(mol)\n\tdrawer = rdMolDraw2D.MolDraw2DCairo(300,300)\n\tfig = SimilarityMaps.GetSimilarityMapFromWeights(mol,weights=tpsa,draw2d=drawer)\n\tdrawer.FinishDrawing()\n\tpng_data = drawer.GetDrawingText()\n\n\tfilename = \"output.png\"\n\tpath = os.path.abspath(filename)\n\twith open(filename, \"wb\") as f:\n\t\tf.write(png_data)\n\t\n\treturn {\"image_file\": f\"file:\/\/\/{path}\"}\n\t\n@mcp.tool()\ndef mol_tpsa(smiles):\n\t\"\"\"\n\tSMILES\u304b\u3089rdkit mol\u30aa\u30d6\u30b8\u30a7\u30af\u30c8\u306b\u5909\u63db\u3092\u3057\u3001TPSA\u3092\u8a08\u7b97\u3059\u308b\u3002\n\t\"\"\"\n\tmol = Chem.MolFromSmiles(smiles)\n\ttpsa = Descriptors.TPSA(mol)\n\t\n\treturn tpsa\n\t\nif __name__ == \"__main__\":\n\tmcp.run(transport=\"stdio\")\n<\/code><\/pre>\n\n\n\n<h2 class=\"wp-block-heading\">LM Studio\u306emcp.json\u306e\u8a2d\u5b9a<\/h2>\n\n\n\n<p>LM Studio\u3092\u8d77\u52d5\u3057\u3001&#8221;Program&#8221;\u3092\u9078\u629e\u3057&#8221;install&#8221;\u3092\u62bc\u3059\u3068mcp.json\u304c\u7de8\u96c6\u3067\u304d\u308b\u306e\u3067\u3001\u4ee5\u4e0b\u306e\u3088\u3046\u306b\u8a18\u8ff0\u3059\u308b\u3002\u30d1\u30b9\u306e\u8a18\u8ff0\u306f\u3001\u4e0a\u8a18\u3067\u4f5c\u6210\u3057\u305frdkit_mcp\u30d5\u30a9\u30eb\u30c0\u306e\u30d1\u30b9\u3068\u306a\u308b\u3002<\/p>\n\n\n\n<figure class=\"wp-block-image size-large\"><img loading=\"lazy\" decoding=\"async\" width=\"1024\" height=\"390\" src=\"https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2025\/08\/Fig1-2-1024x390.png\" alt=\"\" class=\"wp-image-2754\" srcset=\"https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2025\/08\/Fig1-2-1024x390.png 1024w, https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2025\/08\/Fig1-2-300x114.png 300w, https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2025\/08\/Fig1-2-768x292.png 768w, https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2025\/08\/Fig1-2-850x323.png 850w, https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2025\/08\/Fig1-2.png 1280w\" sizes=\"auto, (max-width: 1024px) 100vw, 1024px\" \/><\/figure>\n\n\n\n<p>&#8220;Save&#8221;\u30dc\u30bf\u30f3\u3092\u62bc\u3057\u3001mcp\/mcp-tpsa-server\u3092ON\u306b\u3059\u308b\u3002<\/p>\n\n\n\n<h2 class=\"wp-block-heading\">Chat\u3092\u306f\u3058\u3081\u308b<\/h2>\n\n\n\n<p><strong>TPSA\u306e\u8a08\u7b97\uff1a<\/strong><\/p>\n\n\n\n<figure class=\"wp-block-image size-large\"><img loading=\"lazy\" decoding=\"async\" width=\"1024\" height=\"306\" src=\"https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2025\/08\/Fig2-1-1024x306.png\" alt=\"\" class=\"wp-image-2755\" srcset=\"https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2025\/08\/Fig2-1-1024x306.png 1024w, https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2025\/08\/Fig2-1-300x90.png 300w, https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2025\/08\/Fig2-1-768x229.png 768w, https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2025\/08\/Fig2-1-850x254.png 850w, https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2025\/08\/Fig2-1.png 1280w\" sizes=\"auto, (max-width: 1024px) 100vw, 1024px\" \/><\/figure>\n\n\n\n<p>mol_tpsa\u95a2\u6570\u3092\u7528\u3044\u3066\u3001TPSA\u306e\u8a08\u7b97\u304c\u5b9f\u884c\u3055\u308c\u3066\u3044\u307e\u3059\u3002<\/p>\n\n\n\n<p><strong>\u5404\u539f\u5b50\u306eTPSA\u306b\u5bfe\u3059\u308b\u5bc4\u4e0e\u306e\u8a08\u7b97\uff1a<\/strong><\/p>\n\n\n\n<figure class=\"wp-block-image size-large\"><img loading=\"lazy\" decoding=\"async\" width=\"1024\" height=\"553\" src=\"https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2025\/08\/Fig3-1-1024x553.png\" alt=\"\" class=\"wp-image-2756\" srcset=\"https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2025\/08\/Fig3-1-1024x553.png 1024w, https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2025\/08\/Fig3-1-300x162.png 300w, https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2025\/08\/Fig3-1-768x415.png 768w, https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2025\/08\/Fig3-1-850x459.png 850w, https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2025\/08\/Fig3-1.png 1280w\" sizes=\"auto, (max-width: 1024px) 100vw, 1024px\" \/><\/figure>\n\n\n\n<p>\u30d6\u30e9\u30a6\u30b6\u3067\u4fdd\u5b58\u5834\u6240\u3092\u958b\u304f\u3068\u4ee5\u4e0b\u306e\u753b\u50cf\u304c\u8868\u793a\u3055\u308c\u307e\u3059\u3002<br>\u8272\u5206\u3051\u306e\u8aac\u660e\u306f\u3001\u9593\u9055\u3063\u3066\u3044\u307e\u3059\u306d\u3002<\/p>\n\n\n\n<figure class=\"wp-block-image size-full\"><img loading=\"lazy\" decoding=\"async\" width=\"413\" height=\"417\" src=\"https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2025\/08\/Fig4-1.png\" alt=\"\" class=\"wp-image-2757\" srcset=\"https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2025\/08\/Fig4-1.png 413w, https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2025\/08\/Fig4-1-297x300.png 297w, https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2025\/08\/Fig4-1-150x150.png 150w, https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2025\/08\/Fig4-1-300x303.png 300w, https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2025\/08\/Fig4-1-45x45.png 45w\" sizes=\"auto, (max-width: 413px) 100vw, 413px\" \/><\/figure>\n\n\n\n<p>RDKit\u306e\u30b9\u30af\u30ea\u30d7\u30c8\u306b\u5c11\u3057\u624b\u3092\u52a0\u3048\u308b\u3060\u3051\u3067MCP\u30b5\u30fc\u30d0\u30fc\u306e\u69cb\u7bc9\u304c\u3067\u304d\u307e\u3059\u3002<br>\u307e\u305f\u3001LM Studio\u3092\u4f7f\u3048\u3070gpt-oss\u3068MCP\u30b5\u30fc\u30d0\u30fc\u306e\u9023\u643a\u3082\u7c21\u5358\u3067\u3059\u306e\u3067\u3001\u30ed\u30fc\u30ab\u30eb\u74b0\u5883\u3067\u3044\u308d\u3044\u308d\u306a\u5275\u85ac\u30b7\u30b9\u30c6\u30e0\u306e\u69cb\u7bc9\u3092\u697d\u3057\u3080\u3053\u3068\u304c\u3067\u304d\u308b\u3068\u601d\u3044\u307e\u3059\u3002<\/p>\n","protected":false},"excerpt":{"rendered":"<p>\u7406\u8ad6\u5275\u85ac\u7814\u7a76\u6240\u306e\u5409\u68ee\u3067\u3059\u3002\u4eca\u56de\u306fRDKit\u3092\u4f7f\u3063\u3066\u7c21\u5358\u306a\u5275\u85ac\u8a08\u7b97\u7528MCP\u30b5\u30fc\u30d0\u30fc\u3092Windows\u3067\u69cb\u7bc9\u3057\u305f\u3044\u3068\u601d\u3044\u307e\u3059\u3002 MCP\u30b5\u30fc\u30d0\u30fc\u306e\u4f5c\u6210 Powershell\u3092\u7ba1\u7406\u8005\u6a29\u9650\u3067\u8d77\u52d5\u3059\u308b\u3002 rdkit_mcp\u30d5\u30a9\u30eb\u30c0\u306bt&#8230;<\/p>\n","protected":false},"author":3,"featured_media":0,"comment_status":"closed","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[118],"tags":[],"class_list":["post-2752","post","type-post","status-publish","format-standard","hentry","category-ai-drug-discovery"],"yoast_head":"<!-- This site is optimized with the Yoast SEO plugin v25.3.1 - https:\/\/yoast.com\/wordpress\/plugins\/seo\/ -->\n<title>\u5275\u85ac\u8a08\u7b97\u7528MCP\u30b5\u30fc\u30d0\u30fc\u306e\u4f5c\u6210 - In Silico \u5275\u85ac<\/title>\n<meta name=\"robots\" content=\"index, follow, max-snippet:-1, max-image-preview:large, max-video-preview:-1\" \/>\n<link rel=\"canonical\" href=\"https:\/\/www.insilico.jp\/blog\/2025\/08\/22\/mcp_server\/\" \/>\n<meta property=\"og:locale\" content=\"ja_JP\" \/>\n<meta property=\"og:type\" content=\"article\" \/>\n<meta property=\"og:title\" 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