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business computational chemistry AI 技能

发现 business 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: business computational chemistry

显示第 145–168 个,共 848 个

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GitHub

bio-pathway-wikipathways

GPTomics

WikiPathways enrichment using clusterProfiler and rWikiPathways. Performs over-representation analysis and GSEA on community-curated biological pathways. WikiPathways is an open, collaborative platform with pat...

GitHub

bio-alignment-statistics

GPTomics

Calculate alignment statistics including sequence identity, conservation scores, substitution matrices, and similarity metrics. Use for comparing alignment quality, measuring sequence divergence, and analyzing...

GitHub

bio-restriction-mapping

GPTomics

Create restriction maps showing enzyme cut positions on DNA sequences using Biopython Bio.Restriction. Visualize cut sites, calculate distances between sites, and generate text or graphical maps.

GitHub

bio-motif-search

GPTomics

Find patterns, motifs, and subsequences in biological sequences using Biopython. Use when searching for transcription factor binding sites, regulatory elements, or any sequence pattern. For restriction enzyme a...

GitHub

bio-pdb-structure-modification

GPTomics

Modify protein structures using Biopython Bio.PDB. Use for transforming coordinates, removing atoms or residues, adding new entities, modifying B-factors and occupancies, renumbering residues, and building stru...

GitHub

bio-metabolomics-metabolite-annotation

GPTomics

Metabolite identification from m/z and retention time. Covers database matching, MS/MS spectral matching, and confidence level assignment. Use when assigning compound identities to detected features in untarget...

GitHub

bio-entrez-link

GPTomics

Find cross-references between NCBI databases using Biopython Bio.Entrez. Use for navigating from genes to proteins, sequences to publications, finding related records, and discovering database relationships.

GitHub

bio-entrez-search

GPTomics

Search NCBI databases using Biopython Bio.Entrez. Use for finding records by keyword, building search queries, discovering database structure, and getting global query counts across databases.

GitHub

bio-read-qc-contamination-screening

GPTomics

Detect sample contamination and cross-species reads using FastQ Screen. Screen reads against multiple reference genomes to identify bacterial, viral, adapter, or sample swap contamination. Use when suspecting c...

GitHub

bio-alignment-pairwise

GPTomics

Perform pairwise sequence alignment using Biopython Bio.Align.PairwiseAligner. Use for comparing two sequences, finding optimal alignments, scoring similarity, and identifying local or global matches between DN...

GitHub

bio-chipseq-differential-binding

GPTomics

Differential binding analysis using DiffBind. Compare ChIP-seq peaks between conditions with statistical rigor. Requires replicate samples. Outputs differentially bound regions with fold changes and p-values.

GitHub

imc-tuning-rules

benchflow-ai

Calculate PI/PID controller gains using Internal Model Control (IMC) tuning rules for first-order systems.

GitHub

rdkit

benchflow-ai

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...

GitHub

pubchem-database

benchflow-ai

Query PubChem via PUG-REST API/PubChemPy (110M+ compounds). Search by name/CID/SMILES, retrieve properties, similarity/substructure searches, bioactivity, for cheminformatics.

GitHub

attack-tree-construction

rmyndharis

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

GitHub

pycse

jkitchin

Python computations in science and engineering (pycse) - helps with scientific computing tasks including nonlinear regression, uncertainty quantification, design of experiments (DOE), Latin hypercube sampling,...

GitHub

weather-pollen

clawdbot

Weather and pollen reports for any location using free APIs. Get current conditions, forecasts, and pollen data.

GitHub

gemini-deep-research

clawdbot

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...

GitHub

nextflow-development

anthropics

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,...

GitHub

clinical-trial-protocol-skill

anthropics

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...

GitHub

instrument-data-to-allotrope

anthropics

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...

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。

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