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drug-complex-system-builder
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Skill 资源库
AI Skill 资源库
把 Skill 的源码、资源快照、README、包体和安装信号放进一个可搜索、可筛选的公开目录。
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drug-db-pubchem
Query PubChem via PUG-REST to retrieve CIDs, computed properties, synonyms, and 2D/3D SDF structures.
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drug-interaction-checker
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drug-molecular-fingerprints
Compute Morgan/ECFP fingerprints, Tanimoto similarity, and optional Butina clusters/heatmaps for small-molecule comparison.
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drug-protein-ligand-md
Run a protein-ligand MD simulation in OpenMM with energy minimization, restrained equilibration, and production NPT, producing trajectory and checkpoint files for downstream analysis.
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embl-ebi-ols
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ensembl-database
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er-data-sample
Use when writing the data and sample section of an Economic-Research manuscript — naming databases, building variable-definition and descriptive-statistics tables, and leaving an auditable sample-filt…
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drug-db-chembl
Query ChEMBL web services for targets, molecules, and curated bioactivity measurements (IC50, Ki, EC50, etc.).
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drug-docking-analysis
Post-docking analysis of virtual screening results including score distributions, enrichment metrics (ROC AUC, enrichment factors), and ligand efficiency calculations.
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drug-ligand-prep
Prepare small-molecule ligands for docking and analysis via optional state enumeration, 3D conformer generation, MMFF/UFF minimization, and export to SDF + AutoDock PDBQT.
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drug-pocket-detection
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dspy
Build complex AI systems with declarative programming, optimize prompts automatically, create modular RAG systems and agents with DSPy - Stanford NLP's framework for systematic LM programming
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emergency-triage-protocols
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epidemiology-surveillance
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esm
Use when working directly with the `esm` Python SDK, ESM3 or ESMC model IDs, Forge/Biohub inference clients, or ESMFold2 folding workflows.
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drug-db-pdb
Search, filter, and retrieve macromolecular structures from the RCSB Protein Data Bank (PDB), including metadata, bound ligands, and optional coordinate/validation downloads.
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drug-docking-vina
Dock small-molecule ligands into a protein receptor using AutoDock Vina (Python API) and save ranked poses + docking metadata for reproducible virtual screening.
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drug-mmpbsa-gbsa
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drug-pose-validation
Validate docked or generated ligand poses for physical plausibility using PoseBusters, filtering out chemically invalid or clashing poses before downstream refinement.
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embedded-medical-wearable
Architecture, component selection, firmware design, and regulatory considerations for a medical wearable device (smartwatch-class) that records patient vital signs (SpO2, ECG, heart rate, temperature,…
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encode-ccres-database
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er-abstract
Use when drafting or revising the 中文内容提要 (~300 字, official) or English 梗概/Summary for an 《经济研究》 manuscript. Enforces the five-sentence Chinese pattern, the five-element English Summary, and forbids em…
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etetoolkit
Analyze, manipulate, compare, annotate, and visualize phylogenetic or other hierarchical trees with ETE 4. Use for Newick/Nexus tree I/O, topology edits and pattern matching, Robinson-Foulds compariso…
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