GitHub
imc-tuning-rules
Calculate PI/PID controller gains using Internal Model Control (IMC) tuning rules for first-order systems.
☆ 283查看技能
tools computational chemistry AI 技能
发现 tools computational chemistry 相关 Skills，比较来源仓库和用途，查看适合你工作流的技能说明。
分类目录: tools computational chemistry
tools computational chemistry 清除筛选
全部技能
GitHub
rdkit
Cheminformatics toolkit for fine-grained molecular control. SMILES/SDF parsing, descriptors (MW, LogP, TPSA), fingerprints, substructure search, 2D/3D generation, similarity, reactions. For standard workflows w...
☆ 283查看技能
GitHub
pubchem-database
Query PubChem via PUG-REST API/PubChemPy (110M+ compounds). Search by name/CID/SMILES, retrieve properties, similarity/substructure searches, bioactivity, for cheminformatics.
☆ 283查看技能
GitHub
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.
☆ 279查看技能
GitHub
pycse
Python computations in science and engineering (pycse) - helps with scientific computing tasks including nonlinear regression, uncertainty quantification, design of experiments (DOE), Latin hypercube sampling,...
☆ 272查看技能
GitHub
weather-pollen
Weather and pollen reports for any location using free APIs. Get current conditions, forecasts, and pollen data.
☆ 229查看技能
GitHub
gemini-deep-research
Perform complex, long-running research tasks using Gemini Deep Research Agent. Use when asked to research topics requiring multi-source synthesis, competitive analysis, market research, or comprehensive technic...
☆ 229查看技能
GitHub
nextflow-development
Run nf-core bioinformatics pipelines (rnaseq, sarek, atacseq) on sequencing data. Use when analyzing RNA-seq, WGS/WES, or ATAC-seq data—either local FASTQs or public datasets from GEO/SRA. Triggers on nf-core,...
☆ 210查看技能
GitHub
clinical-trial-protocol-skill
Generate clinical trial protocols for medical devices or drugs. This skill should be used when users say "Create a clinical trial protocol", "Generate protocol for [device/drug]", "Help me design a clinical stu...
☆ 210查看技能
GitHub
instrument-data-to-allotrope
Convert laboratory instrument output files (PDF, CSV, Excel, TXT) to Allotrope Simple Model (ASM) JSON format or flattened 2D CSV. Use this skill when scientists need to standardize instrument data for LIMS sys...
☆ 210查看技能
GitHub
swot-pestle-analysis
Strategic environmental analysis using SWOT, PESTLE, and Porter's Five Forces. Creates structured assessments with Mermaid visualizations for competitive positioning and strategic planning.
☆ 208查看技能
GitHub
pdbe-api
Query the PDBe (Protein Data Bank in Europe) REST API and Solr search API from within Coot to access structure metadata, validation data, revision history, and search capabilities
☆ 155查看技能
GitHub
coot-rdkit
RDKit molecular manipulation and visualization within Coot's Python environment. Use when working with Coot and need to (1) Create RDKit molecules from Coot monomers, (2) Modify molecular structures (e.g., atom...
☆ 154查看技能
GitHub
coot-correlations
Using Density-Fit Correlations in Coot
☆ 154查看技能
GitHub
coot-refinement
Best practices for protein structure refinement and validation in Coot. Use when performing (1) Residue refinement operations, (2) Model building and fitting, (3) Rotamer fixing, (4) Scripted/automated refineme...
☆ 154查看技能
GitHub
coot-validation
Comprehensive structure validation combining model-to-map analysis and unmodeled density detection
☆ 154查看技能
GitHub
claude-scientific-skills
Comprehensive collection of 128+ ready-to-use scientific skills for Claude enabling research across biology, chemistry, medicine, genomics, and advanced analysis domains.
☆ 129查看技能
GitHub
packmol
This skill should be used when the user asks to "create a packmol input", "pack molecules with packmol", "solvate a protein", "build an initial configuration", "setup molecular dynamics", or discusses molecular...
☆ 124查看技能
GitHub
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.
☆ 124查看技能
GitHub
reasoning-inductive
Extract patterns and generalizations from multiple observations. Use when detecting recurring themes, building predictive rules, or identifying systemic behaviors from accumulated data. Produces validated patte...
☆ 123查看技能
GitHub
reasoningbank-adaptive-learning-with-agentdb
Implement ReasoningBank adaptive learning with AgentDB for trajectory tracking, verdict judgment, memory distillation, and pattern recognition to build self-learning agents that improve decision-making through...
☆ 123查看技能
GitHub
build-diagnostics
When given a blocker:
☆ 123查看技能
GitHub
firstprinciples
First principles analysis. USE WHEN first principles, fundamental, root cause, decompose. SkillSearch('firstprinciples') for docs.
☆ 99查看技能
GitHub
competitive-research
Research competitors, analyze market positioning, identify differentiators, and understand competitive landscape to inform product strategy and positioning. Use when researching competitors, analyzing features,...
☆ 95查看技能
默认按已收录数据中的 GitHub 仓库 Stars 排序。Stars 属于来源仓库，同一仓库的多个技能可能共享相同数值；它反映仓库关注度，不代表单个技能的安装量或质量评分。