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Molfeat | Skills Pool

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Molfeat

Molecular featurization and chemical descriptor computation

datappt80 星标2026年4月11日

职业: Chemists
分类: 计算化学

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Molfeat

npx skillvault add datappt8/datappt8-uopc-companies-kdense-science-lab-skills-molfeat-skill-md

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作者: datappt8
星标: 0
更新时间: 2026年4月11日
职业

Healthcare Cdss Patterns

Clinical Decision Support System (CDSS) development patterns. Drug interaction checking, dose validation, clinical scoring (NEWS2, qSOFA), alert severity classification, and integration into EMR workflows.

Drug Discovery

Pharmaceutical research assistant for drug discovery workflows. Search bioactive compounds on ChEMBL, calculate drug-likeness (Lipinski Ro5, QED, TPSA, synthetic accessibility), look up drug-drug interactions via OpenFDA, interpret ADMET profiles, and assist with lead optimization. Use for medicinal chemistry questions, molecule property analysis, clinical pharmacology, and open-science drug research.

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Qmd

Search personal knowledge bases, notes, docs, and meeting transcripts locally using qmd — a hybrid retrieval engine with BM25, vector search, and LLM reranking. Supports CLI and MCP integration.

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Attack Tree Construction

Build comprehensive attack trees to visualize threat paths. Use when mapping attack scenarios, identifying defense gaps, or communicating security risks to stakeholders.

Azure Ai Anomalydetector Java

Build anomaly detection applications with Azure AI Anomaly Detector SDK for Java. Use when implementing univariate/multivariate anomaly detection, time-series analysis, or AI-powered monitoring.

Viboscope

Psychological compatibility matching — find cofounders, collaborators, and friends through validated psychometrics