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business computational chemistry AI Skills

Discover business computational chemistry skills, compare source repositories and read the instructions for each workflow.

Categories: business computational chemistry

Showing 529–552 of 848

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GitHub

esm

hxk622

Comprehensive toolkit for protein language models including ESM3 (generative multimodal protein design across sequence, structure, and function) and ESM C (efficient protein embeddings and representations). Use...

GitHub

rowan

hxk622

Cloud-based quantum chemistry platform with Python API. Preferred for computational chemistry workflows including pKa prediction, geometry optimization, conformer searching, molecular property calculations, pro...

GitHub

clinical-decision-support

hxk622

Generate professional clinical decision support (CDS) documents for pharmaceutical and clinical research settings, including patient cohort analyses (biomarker-stratified with outcomes) and treatment recommenda...

GitHub

reactome-database

hxk622

Query Reactome REST API for pathway analysis, enrichment, gene-pathway mapping, disease pathways, molecular interactions, expression analysis, for systems biology studies.

GitHub

alphafold-database

hxk622

Access AlphaFold 200M+ AI-predicted protein structures. Retrieve structures by UniProt ID, download PDB/mmCIF files, analyze confidence metrics (pLDDT, PAE), for drug discovery and structural biology.

GitHub

prisma-diagram

astoreyai

Generate PRISMA 2020 flow diagrams for systematic reviews. Use when: (1) Conducting systematic literature reviews, (2) Documenting screening process, (3) Reporting study selection for publications, (4) Demonstr...

GitHub

structured-analytic-techniques

g-clef

Guide cyber threat intelligence analysts through the Diamond Model framework and Structured Analytic Techniques (SATs) from Heuer. Use when analysts need help with: (1) Organizing attack data using the Diamond...

GitHub

evaluation-v2

GOATnote-Inc

Anthropic-aligned medical safety evaluation with pass^k metrics, failure taxonomy, and anti-gaming graders

GitHub

hol4

charles-cooper

HOL4 proof development pipeline - planning, sketching, and proving phases. (project)

GitHub

atomic-thought

bnadlerjr

INVOKE for research tasks and multi-source understanding. Produces visible dependency graphs and contracted answers. Use during research phase of workflow. Triggers: researching topics, gathering information be...

GitHub

functional-enrichment

BIsnake2001

Perform GO and KEGG functional enrichment using HOMER from genomic regions (BED/narrowPeak/broadPeak) or gene lists, and produce R-based barplot/dotplot visualizations. Use this skill when you want to perform G...

GitHub

motif-scanning

BIsnake2001

This skill identifies the locations of known transcription factor (TF) binding motifs within genomic regions such as ChIP-seq or ATAC-seq peaks. It utilizes HOMER to search for specific sequence motifs defined...

GitHub

local-methylation-profile

BIsnake2001

This skill analyzes the local DNA methylation profiles around target genomic regions provide by user. Use this skill when you want to vasulize the average methylation profile around target regions (e.g. TSS, CT...

GitHub

loop-annotation

BIsnake2001

This skill annotates chromatin loops, including enhancer/promoter assignments, CTCF-peak overlap. It automatically constructs enhancer and promoter sets when missing and outputs standardized loop categories.

GitHub

peak-calling

BIsnake2001

Perform peak calling for ChIP-seq or ATAC-seq data using MACS3, with intelligent parameter detection from user feedback. Use it when you want to call peaks for ChIP-seq data or ATAC-seq data.

GitHub

hic-compartments-calling

BIsnake2001

This skill performs PCA-based A/B compartments calling on Hi-C .mcool datasets using pre-defined MCP tools from the cooler-tools, cooltools-tools, and plot-hic-tools servers.

GitHub

atacseq-qc

BIsnake2001

Performs ATAC-specific biological validation. It calculates metrics unique to chromatin accessibility assays, such as TSS enrichment scores and fragment size distributions (nucleosome banding patterns). Use thi...

GitHub

chipseq-qc

BIsnake2001

Performs ChIP-specific biological validation. It calculates metrics unique to protein-binding assays, such as Cross-correlation (NSC/RSC) and FRiP. Use this when you have filtered the BAM file and called peaks...

GitHub

regulatory-community-analysis-chia-pet

BIsnake2001

This skill performs protein-mediated regulatory community analysis from ChIA-PET datasets and provide a way for visualizing the communities. Use this skill when you have a annotated peak file (in BED format) fr...

GitHub

analyzing-research-documents

bacchus-labs

Extracts high-value insights from research documents, RCAs, design docs, and memos - filters aggressively to return only actionable information. Research equivalent of analyzing-implementations skill.

GitHub

ship-dynamics-6dof

vamseeachanta

6DOF ship dynamics, equations of motion, seakeeping analysis, and natural frequency calculations

The default order uses GitHub repository stars from our indexed data. Stars belong to the source repository and may be shared by multiple skills. They indicate repository interest, not skill installs or an independent quality score.

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