Chemistry Rdkit
microsoft/agora-workbench/examples/servers/chemistry/skills
codingResmi
Resmi Sağlayıcı Skill'iView repo
Molecular analysis and cheminformatics using RDKit — SMILES handling, descriptor calculation, fingerprints, substructure search, similarity, clustering, and drug-likeness screening via domain tools and the execute_chemistry_code tool.
Dosyalar4 dosya
SKILL.md155 satır
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Kurulum
ÖnerilenTek komut — ajanınız otomatik olarak devreye alır.
Kurulum komutunu görmek için yukarıdan bir AI aracı seçin.
veya
Manuel Kurulum
Daha fazla adımArşivi indirin ve dosyaları projenize manuel olarak ekleyin.
Skill detayları
Versiyonv1.0.0
YazarMicrosoft
Kategoricoding
Skill IDmicrosoft/agora-workbench/examples/servers/chemistry/skills
Dosyalar4 dosya
İlgili skill'ler
Agora WorkbenchDrive Agora Workbench MCP servers — any server that exposes an execute_*_code tool — by writing Python that runs inside the server's persistent kernel, where its tools and libraries already live. Activate whenever an execute_*_code tool is connected and the user asks for work that could run there, BEFORE reaching for local shell, standalone scripts, or package installs. The server already has the environment; call its tool instead of rebuilding the capability locally.ArtifactsFetch data assets into the kernel, transfer Python objects between servers, and publish output files to the user. Activate when working with data files, cross-server data movement, or when the user asks for downloads or exports.Async ExecutionRun long-running or parallel code asynchronously. Activate when code will take more than 30 seconds, when processing many independent inputs, or when the user asks to run something in the background.Earthscience StacHow to find and load data from Microsoft Planetary Computer (STAC) inside execute_earthscience_code.Energysystems PypsaPower system modeling and analysis with PyPSA inside execute_energysystems_code — network setup, components, power flow, optimal dispatch, capacity expansion, cost and topology analysis. Covers PyPSA conventions and the gotchas that cause silently wrong results.Workflow PlanningPlan and navigate multi-step domain workflows using the state graph. Activate when a task involves ordered tool dependencies, multiple state transitions, or when unsure which tool to call next in a domain sequence.