[{"data":1,"prerenderedAt":-1},["ShallowReactive",2],{"skill:01M6DCY4FZWXZ323B2VXFVVJDA":3,"skill-same:01M6DCY4FZWXZ323B2VXFVVJDA":69},{"skillNo":4,"name":5,"nameZh":6,"description":7,"descriptionZh":6,"repositoryFullName":8,"ownerLogin":9,"ownerAvatarUrl":10,"ownerAccountNo":11,"ownerDisplayName":12,"repositoryNo":13,"starsCount":14,"licenseSpdxId":15,"licenseFileUrl":6,"sourceHtmlUrl":16,"categories":17,"keywords":23,"publishedAt":44,"linkOnly":45,"markdownContent":46,"markdownBody":47,"frontMatter":48,"refName":49,"commitSha":50,"skillDirectory":51,"forksCount":14,"repositoryHtmlUrl":52,"repositoryHomepageUrl":6,"ownerHtmlUrl":53,"ownerBlogUrl":6,"ownerDescription":6,"updatedAt":54,"install":55,"resources":68},"01M6DCY4FZWXZ323B2VXFVVJDA","schrodinger-maestro-driver",null,"Use when driving the local schrodinger MCP server for structure-based drug discovery on a Schrodinger Suite install - SMILES to 3D, LigPrep ligand preparation, Protein Preparation Wizard, Glide grid generation, Glide docking, Prime MM-GBSA binding free energy, QikProp ADMET, structure format conversion, RDKit descriptors, or the run_schrodinger_python escape hatch. Covers the SCHRODINGER environment setup and the license-token-free vs token-consuming tool split for the full receptor-prep to docked-and-rescored pipeline.","Prekzursil\u002Fagent-skills-toolchain","Prekzursil","https:\u002F\u002Favatars.githubusercontent.com\u002Fu\u002F54636077?v=4","01M6DACZ1PCQHD99SCR1YXG28B","Andrei Mihai Visalon","01M6DACZ670WZF535V3WYYSS4Z",0,"MIT","https:\u002F\u002Fgithub.com\u002FPrekzursil\u002Fagent-skills-toolchain\u002Fblob\u002Fmain\u002Fplatform\u002Frouting\u002Ffixtures\u002Fhome\u002F.agents\u002Fskills\u002Fschrodinger-maestro-driver\u002FSKILL.md",[18],{"categoryNo":19,"categoryName":20,"taxonomyType":21,"taxonomyTypeDesc":22},"01JBSEEDCAT000000000000023","Skill与智能体开发","SCENARIO","使用场景",[24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43],"schrodinger maestro driver","tool","hatch","free","docking","local","structure","conversion","use","environment","MCP","wizard","discovery","3D","rdkit","pipeline","server","license","mcp server","python","2026-11-10 10:12:30",false,"---\nname: schrodinger-maestro-driver\ndescription: Use when driving the local schrodinger MCP server for structure-based drug discovery on a Schrodinger Suite install - SMILES to 3D, LigPrep ligand preparation, Protein Preparation Wizard, Glide grid generation, Glide docking, Prime MM-GBSA binding free energy, QikProp ADMET, structure format conversion, RDKit descriptors, or the run_schrodinger_python escape hatch. Covers the SCHRODINGER environment setup and the license-token-free vs token-consuming tool split for the full receptor-prep to docked-and-rescored pipeline.\n---\n\n# Schrodinger \u002F Maestro Driver\n\n## Overview\n\nThe `schrodinger` MCP server is a thin, security-conscious wrapper over a local Schrodinger Suite install. It NEVER imports the `schrodinger` package in-process; every tool builds an argv list and hands it to a single internal `_exec()` chokepoint that runs WITHOUT a shell. Client-supplied paths are validated by `_safe_path()` (rejects empty\u002Fflag-like values, normalizes to absolute) before reaching any argv, so there is no shell or argument injection. The `run_schrodinger_python` tool is an intentional arbitrary-code escape hatch - this server is for local, single-user use only.\n\n- Source: `C:\\Users\\agentuser\\source\\repos\\schrodinger-mcp\\server.py` (+ `_sch_helper.py`, which runs INSIDE the Schrodinger interpreter where both `schrodinger` and a bundled `rdkit` are importable).\n- Verified install: Schrodinger 2022-4, build 79134, at `D:\\Program Files\\Schrodinger 2022-4`.\n\n## Environment Setup\n\nThe server reads `SCHRODINGER` from the environment; it defaults to the Windows path `D:\\Program Files\\Schrodinger 2022-4` and on POSIX you must set it.\n\n- MCP registration (verified, stdio):\n  - command: `C:\\Users\\agentuser\\source\\repos\\schrodinger-mcp\\.venv\\Scripts\\python.exe`\n  - args: `C:\\Users\\agentuser\\source\\repos\\schrodinger-mcp\\server.py`\n  - env: `SCHRODINGER` = `D:\\Program Files\\Schrodinger 2022-4`\n- Cross-platform note: the server resolves `run.exe`\u002Fdriver `.exe` on Windows and falls back to the extension-less `run`\u002Fdriver names on POSIX. On POSIX, export `SCHRODINGER` to your suite root (e.g. `\u002Fopt\u002Fschrodinger\u002Fsuites\u002F2022-4`).\n\n### The 12 Tools (grouped by license cost)\n### Typical Workflow (end-to-end structure-based screening)\n### Full pipeline is now in-server (receptor prep -> grid -> dock -> rescore)\n### Common Mistakes\n### Related Skills\n","# Schrodinger \u002F Maestro Driver\n\n## Overview\n\nThe `schrodinger` MCP server is a thin, security-conscious wrapper over a local Schrodinger Suite install. It NEVER imports the `schrodinger` package in-process; every tool builds an argv list and hands it to a single internal `_exec()` chokepoint that runs WITHOUT a shell. Client-supplied paths are validated by `_safe_path()` (rejects empty\u002Fflag-like values, normalizes to absolute) before reaching any argv, so there is no shell or argument injection. The `run_schrodinger_python` tool is an intentional arbitrary-code escape hatch - this server is for local, single-user use only.\n\n- Source: `C:\\Users\\agentuser\\source\\repos\\schrodinger-mcp\\server.py` (+ `_sch_helper.py`, which runs INSIDE the Schrodinger interpreter where both `schrodinger` and a bundled `rdkit` are importable).\n- Verified install: Schrodinger 2022-4, build 79134, at `D:\\Program Files\\Schrodinger 2022-4`.\n\n## Environment Setup\n\nThe server reads `SCHRODINGER` from the environment; it defaults to the Windows path `D:\\Program Files\\Schrodinger 2022-4` and on POSIX you must set it.\n\n- MCP registration (verified, stdio):\n  - command: `C:\\Users\\agentuser\\source\\repos\\schrodinger-mcp\\.venv\\Scripts\\python.exe`\n  - args: `C:\\Users\\agentuser\\source\\repos\\schrodinger-mcp\\server.py`\n  - env: `SCHRODINGER` = `D:\\Program Files\\Schrodinger 2022-4`\n- Cross-platform note: the server resolves `run.exe`\u002Fdriver `.exe` on Windows and falls back to the extension-less `run`\u002Fdriver names on POSIX. On POSIX, export `SCHRODINGER` to your suite root (e.g. `\u002Fopt\u002Fschrodinger\u002Fsuites\u002F2022-4`).\n\n### The 12 Tools (grouped by license cost)\n### Typical Workflow (end-to-end structure-based screening)\n### Full pipeline is now in-server (receptor prep -> grid -> dock -> rescore)\n### Common Mistakes\n### Related Skills\n",{"name":5,"description":7},"main","a298c929b6cbd662e1fce54302ce520d5ceea1a5","platform\u002Frouting\u002Ffixtures\u002Fhome\u002F.agents\u002Fskills\u002Fschrodinger-maestro-driver","https:\u002F\u002Fgithub.com\u002FPrekzursil\u002Fagent-skills-toolchain","https:\u002F\u002Fgithub.com\u002FPrekzursil","2026-11-02 14:30:57",{"source":8,"skillName":5,"commands":56,"prompt":66,"zipAvailable":67},[57,60,63],{"tool":58,"command":59},"npx","npx skills add Prekzursil\u002Fagent-skills-toolchain --skill schrodinger-maestro-driver",{"tool":61,"command":62},"bunx","bunx skills add Prekzursil\u002Fagent-skills-toolchain --skill schrodinger-maestro-driver",{"tool":64,"command":65},"pnpm","pnpm dlx skills add Prekzursil\u002Fagent-skills-toolchain --skill schrodinger-maestro-driver","安装技能，技能地址：https:\u002F\u002Fgithub.com\u002FPrekzursil\u002Fagent-skills-toolchain\u002Fblob\u002Fmain\u002Fplatform\u002Frouting\u002Ffixtures\u002Fhome\u002F.agents\u002Fskills\u002Fschrodinger-maestro-driver\u002FSKILL.md",true,[],[70,91,113,140,154,170],{"skillNo":71,"name":72,"nameZh":6,"description":73,"descriptionZh":6,"repositoryFullName":8,"ownerLogin":9,"ownerAvatarUrl":10,"ownerAccountNo":11,"ownerDisplayName":12,"repositoryNo":13,"starsCount":14,"licenseSpdxId":15,"licenseFileUrl":6,"sourceHtmlUrl":74,"categories":75,"keywords":76,"publishedAt":44},"01M6DF7D7478R55P46REYH4QAC","clarify-requirements","Resolve genuine pre-execution ambiguity by scanning repo context, generating 1-6 grounded options, and asking 1-3 focused questions via AskUserQuestion. NOT for mid-task use (injection risk); NOT when the goal is already unambiguous; use to disambiguate vague prompts before any file edits.","https:\u002F\u002Fgithub.com\u002FPrekzursil\u002Fagent-skills-toolchain\u002Fblob\u002Fmain\u002Ftools\u002Fworkspace-hooks\u002Fskills\u002Fclarify-requirements\u002FSKILL.md",[],[77,78,79,80,81,82,83,84,85,32,86,87,88,89,90],"clarify requirements","clarify","requirements","risk","options","task","prompts","goal","scanning","context","repo","injection","execution","file",{"skillNo":92,"name":93,"nameZh":6,"description":94,"descriptionZh":6,"repositoryFullName":8,"ownerLogin":9,"ownerAvatarUrl":10,"ownerAccountNo":11,"ownerDisplayName":12,"repositoryNo":13,"starsCount":14,"licenseSpdxId":15,"licenseFileUrl":6,"sourceHtmlUrl":95,"categories":96,"keywords":98,"publishedAt":44},"01M6DF79CA4BHJS66J8EZDBPWJ","openmm-md","Run FREE, open-source, Windows-native GPU molecular dynamics via the openmm-md MCP (OpenMM + CUDA on the local NVIDIA GPU). Use for protein \u002F protein-ligand MD when you want a free stack or are on Windows without a Schrodinger license. Covers the full workflow (prepare, solvate, minimize, equilibrate, production, analyze, mmgbsa) AND an honest decision guide vs Schrodinger Desmond, including how to run Desmond legitimately on Linux or a cloud GPU with a real license. This is a deliberately LESSER free alternative and does NOT replace the schrodinger MCP tools. Do NOT use it to pick a free tool when a validated FEP+, WaterMap, IFD-MD, or Prime MM-GBSA result is actually required.","https:\u002F\u002Fgithub.com\u002FPrekzursil\u002Fagent-skills-toolchain\u002Fblob\u002Fmain\u002Ftools\u002Fmcp\u002Fopenmm-md-mcp\u002Fskill\u002Fopenmm-md\u002FSKILL.md",[97],{"categoryNo":19,"categoryName":20,"taxonomyType":21,"taxonomyTypeDesc":22},[99,100,101,102,103,104,25,105,106,107,108,41,109,110,32,27,111,29,112,34],"openmm md","how","decision","pick","linux","analyze","stack","open","NVIDIA","gpu","workflow","windows","molecular dynamics","do",{"skillNo":114,"name":115,"nameZh":6,"description":116,"descriptionZh":6,"repositoryFullName":8,"ownerLogin":9,"ownerAvatarUrl":10,"ownerAccountNo":11,"ownerDisplayName":12,"repositoryNo":13,"starsCount":14,"licenseSpdxId":15,"licenseFileUrl":6,"sourceHtmlUrl":117,"categories":118,"keywords":125,"publishedAt":44},"01M6DF76C1MG85VEWP8VZCBNMN","visual-review","Take screenshots of web pages and UI using Playwright for visual review and iteration","https:\u002F\u002Fgithub.com\u002FPrekzursil\u002Fagent-skills-toolchain\u002Fblob\u002Fmain\u002Ftools\u002Feditor\u002Fmetaswarm\u002Fskills\u002Fvisual-review\u002FSKILL.md",[119,122],{"categoryNo":120,"categoryName":121,"taxonomyType":21,"taxonomyTypeDesc":22},"01JBSEEDCAT000000000000003","演示文稿",{"categoryNo":123,"categoryName":124,"taxonomyType":21,"taxonomyTypeDesc":22},"01JBSEEDCAT000000000000008","测试与质量",[126,127,128,129,130,131,132,133,134,135,100,136,137,138,139],"review","visual","visual review","pages","web","false","iteration","take","check","slides","ui","screenshot","playwright","screenshots",{"skillNo":141,"name":142,"nameZh":6,"description":143,"descriptionZh":6,"repositoryFullName":8,"ownerLogin":9,"ownerAvatarUrl":10,"ownerAccountNo":11,"ownerDisplayName":12,"repositoryNo":13,"starsCount":14,"licenseSpdxId":15,"licenseFileUrl":6,"sourceHtmlUrl":144,"categories":145,"keywords":146,"publishedAt":44},"01M6DF73AQVCBZKEN0YXEX9FXP","status","Diagnostic status report — shows metaswarm installation state, project setup, and potential issues","https:\u002F\u002Fgithub.com\u002FPrekzursil\u002Fagent-skills-toolchain\u002Fblob\u002Fmain\u002Ftools\u002Feditor\u002Fmetaswarm\u002Fskills\u002Fstatus\u002FSKILL.md",[],[142,147,148,149,150,151,152,153],"setup","report","project","installation","project setup","issues","state",{"skillNo":155,"name":156,"nameZh":6,"description":157,"descriptionZh":6,"repositoryFullName":8,"ownerLogin":9,"ownerAvatarUrl":10,"ownerAccountNo":11,"ownerDisplayName":12,"repositoryNo":13,"starsCount":14,"licenseSpdxId":15,"licenseFileUrl":6,"sourceHtmlUrl":158,"categories":159,"keywords":161,"publishedAt":44},"01M6DF6X6C2XB0P6GX76P7TTYV","start","Use when starting work on any task, when the user mentions metaswarm, or when the user wants to begin tracked development work","https:\u002F\u002Fgithub.com\u002FPrekzursil\u002Fagent-skills-toolchain\u002Fblob\u002Fmain\u002Ftools\u002Feditor\u002Fmetaswarm\u002Fskills\u002Fstart\u002FSKILL.md",[160],{"categoryNo":19,"categoryName":20,"taxonomyType":21,"taxonomyTypeDesc":22},[156,162,82,163,164,165,32,166,167,168,169],"start issue","issue","ready","work on issue","user","work","work on","development",{"skillNo":171,"name":147,"nameZh":6,"description":172,"descriptionZh":6,"repositoryFullName":8,"ownerLogin":9,"ownerAvatarUrl":10,"ownerAccountNo":11,"ownerDisplayName":12,"repositoryNo":13,"starsCount":14,"licenseSpdxId":15,"licenseFileUrl":6,"sourceHtmlUrl":173,"categories":174,"keywords":175,"publishedAt":44},"01M6DF6QMJ9AJKFKHHKRT005PQ","Interactive project setup — detects your project, configures metaswarm, writes project-local files","https:\u002F\u002Fgithub.com\u002FPrekzursil\u002Fagent-skills-toolchain\u002Fblob\u002Fmain\u002Ftools\u002Feditor\u002Fmetaswarm\u002Fskills\u002Fsetup\u002FSKILL.md",[],[147,149,29,176,151,177],"files","interactive"]