git:20260628.9edbf07 to git:20260721.2758b4c

28 added, 8 removed. Audit A to A.

---
name: ocean-genomics
category: science
description: >
Comprehensive bioinformatics and ocean genomics skill for eDNA metabarcoding, metagenomics,
protein structure prediction, and marine biodiversity analysis. Use when: (1) Working with DNA/RNA
sequences (FASTQ, FASTA, SAM/BAM, VCF files), (2) Running BLAST, QIIME2, Kraken2, or Nextflow
- pipelines, (3) Predicting protein structures via AlphaFold, ESMFold, or ColabFold, (4) Analyzing
+ pipelines, (3) Predicting protein structures via ESMFold2, AlphaFold, or ColabFold, (4) Analyzing
environmental DNA (eDNA) from marine samples, (5) Querying marine databases (OBIS, BOLD, DOO,
- GenBank, UniProt), (6) Using biological foundation models (Evo 2, ESM-2, ProGen3), (7) Setting up
+ GenBank, UniProt), (6) Using biological foundation models (Evo 2, ESMC/ESMFold2, ProGen3), (7) Setting up
MCP servers for bioinformatics (gget-mcp, bio-mcp), (8) Building agentic bioinformatics workflows,
(9) Ocean biodiversity research, deep-sea species discovery, extremophile enzyme characterization,
(10) Any task involving genomics, proteomics, transcriptomics, or computational biology.
---
# Ocean Genomics
Agentic bioinformatics skill for ocean genomics — from eDNA water sampling to species identification, protein structure prediction, and scientific insight publication.
## Quick Start
### 1. Set Up MCP Integration
Install gget-MCP for immediate access to BLAST, AlphaFold, sequence retrieval, and 9 other genomics tools:
```json
// Add to .claude/settings.json → mcpServers
{
"gget-mcp": {
"command": "uvx",
"args": ["--from", "gget-mcp@latest", "stdio"]
}
}
```
### 2. Install CLI Tools
```bash
# Core tools
brew install blast mmseqs2 samtools minimap2 nextflow
pip install biopython biotite gget
# Nanopore basecalling (runs on Apple Silicon)
brew install nanoporetech/dorado/dorado
# eDNA pipeline (conda recommended)
conda create -n edna -c bioconda -c conda-forge qiime2 kraken2 fastp fastqc
```
### 3. Install Companion Skills
```bash
npx skills add adaptyvbio/protein-design-skills@alphafold -g -y
npx skills add anthropics/life-sciences@nextflow-development -g -y
npx skills add gptomics/bioskills@bioskills -g -y
npx skills add davila7/claude-code-templates@gget -g -y
```
## Core Workflows
### Workflow A: eDNA Species Inventory
**Trigger**: User has sequencing data from marine water samples and needs species identification.
```
Input: FASTQ files (amplicon sequencing of CO1/16S/18S marker gene)
1. Quality control
→ fastp: trim adapters, filter low-quality reads
→ FastQC + MultiQC: generate QC reports
2. Denoise and classify
→ QIIME2 import → DADA2 denoise → ASV table
→ Taxonomy: classify-sklearn against BOLD (CO1) or SILVA (16S/18S)
3. Diversity analysis
→ Alpha diversity: Shannon, Simpson, Chao1
→ Beta diversity: Bray-Curtis, PCoA ordination
→ Rarefaction curves
4. Species report
→ Taxa count table (species × samples)
→ Novel species flags (CO1 divergence >3% from nearest reference)
→ Upload-ready format for OBIS
Output: Species inventory, diversity metrics, novel species candidates
```
**Nextflow shortcut**: `nextflow run nf-core/ampliseq --input samplesheet.csv --FW_primer <fwd> --RV_primer <rev>`
### Workflow B: Metagenomic Community Profiling
**Trigger**: User has shotgun metagenomic data and needs taxonomic + functional profiles.
```
Input: FASTQ files (shotgun whole-metagenome sequencing)
1. QC → fastp
2. Taxonomic classification → Kraken2 + Bracken (abundance estimation)
3. Functional profiling → HUMAnN3 (metabolic pathways)
4. Assembly (optional) → SPAdes/MEGAHIT → QUAST quality check
5. Binning (optional) → MetaBAT2 → CheckM quality → MAG annotation
Output: Taxonomic profiles, functional pathways, metagenome-assembled genomes (MAGs)
```
**Nextflow shortcut**: `nextflow run nf-core/mag --input samplesheet.csv --assembly_type megahit`
### Workflow C: Novel Protein Characterization
**Trigger**: User has protein sequences (from metagenomics or genome annotation) and needs structure/function prediction.
```
Input: Protein sequences (FASTA)
1. Homology search
→ BLAST/MMseqs2 against UniProt, GenBank nr
→ If match found: annotate function from homolog
2. Structure prediction (if novel / no homolog)
- → Fast screening: ESMFold (seconds per protein, no MSA)
- → High accuracy: AlphaFold 3 / ColabFold (minutes, needs MSA)
+ → Fast screening: ESMFold2 single-sequence mode (no MSA) — legacy: ESMFold
+ → With ligands / DNA / RNA / modified AA: AlphaFold 3 (leads both subsets); ESMFold2 if MIT required
+ → High accuracy: benchmark ESMFold2 vs AlphaFold 3 / ColabFold on your targets
→ Check confidence: pLDDT >70 = reliable fold
3. Structural search
→ Foldseek against AlphaFold DB + PDB
→ Find structural homologs even without sequence similarity
4. Functional annotation
→ Domain analysis: InterPro scan
→ Pathway mapping: gget enrichr
→ Interaction networks: STRING database
5. Report
→ Structure visualization (PDB files)
→ Functional predictions with confidence scores
→ Comparison to known extremophile enzymes
Output: 3D structures, functional annotations, drug/enzyme candidates
```
### Workflow D: Variant Effect Analysis
**Trigger**: User wants to understand impact of mutations in marine organism genomes.
```
Input: DNA sequences + variants of interest
1. Score variants with Evo 2
→ Zero-shot pathogenicity prediction
→ No fine-tuning needed — works across all species
2. Structural impact (if protein-coding)
→ Translate → AlphaFold → compare wild-type vs mutant structure
→ Stability prediction (ΔΔG estimation)
3. Conservation analysis
→ Multiple sequence alignment (MUSCLE/MAFFT)
→ Conservation scores across species
Output: Variant effect scores, structural impact, conservation context
```
## Tool Reference
### Sequence Analysis
| Task | Tool | Command |
|------|------|---------|
| Nucleotide BLAST | BLAST+ | `blastn -query input.fasta -db nt -evalue 1e-6 -outfmt 6` |
| Protein BLAST | BLAST+ | `blastp -query proteins.fasta -db nr -evalue 1e-10` |
| Fast homology search | MMseqs2 | `mmseqs search queryDB targetDB resultDB tmp` |
| Short read alignment | BWA | `bwa mem ref.fa reads.fq \| samtools sort -o out.bam` |
| Long read alignment | Minimap2 | `minimap2 -ax map-ont ref.fa reads.fq \| samtools sort -o out.bam` |
| BAM statistics | SAMtools | `samtools flagstat aligned.bam` |
| Variant calling | bcftools | `bcftools mpileup -f ref.fa in.bam \| bcftools call -mv` |
### eDNA & Taxonomy
| Task | Tool | Command |
|------|------|---------|
| Amplicon denoising | QIIME2/DADA2 | `qiime dada2 denoise-paired ...` |
| Taxonomic classification | Kraken2 | `kraken2 --db standard --paired R1.fq R2.fq --report report.txt` |
| Abundance estimation | Bracken | `bracken -d db -i report.txt -o output.txt -r 150 -l S` |
| Basecalling (Nanopore) | Dorado | `dorado basecaller sup pod5_dir/ > calls.bam` |
### Structure Prediction
| Task | Tool | Command/API |
|------|------|-------------|
- | Fast structure (no MSA) | ESMFold | `model.infer_pdb(sequence)` |
+ | Fast structure (no MSA) | ESMFold2 / ESMFold2-Fast | `ESMFold2InputBuilder().fold(model, spi, ...)` |
+ | Fast structure (legacy) | ESMFold | `model.infer_pdb(sequence)` |
| High-accuracy structure | ColabFold | `colabfold_batch input.fasta output/` |
+ | Complex w/ ligand/DNA/RNA | AlphaFold 3 (ESMFold2 if MIT req.) | `StructurePredictionInput(sequences=[ProteinInput(...), LigandInput(...)])` |
| Complex prediction | AlphaFold 3 | `python run_alphafold.py --input_dir inputs/` |
| Structural search | Foldseek | `foldseek easy-search query.pdb afdb result.m8 tmp` |
### Database Queries (via gget)
```python
import gget
gget.blast("ATCGATCG...") # BLAST search
gget.alphafold("MVLSPADKTNVK...") # Structure prediction
gget.seq("ENSG00000012048") # Fetch sequence
gget.info("BRCA1") # Gene metadata
gget.enrichr(["BRCA1", "TP53"]) # Pathway enrichment
gget.pdb("1BNA") # PDB structure
```
## File Format Reference
| Format | Extension | Content | When You See It |
|--------|-----------|---------|-----------------|
| **FASTQ** | `.fq`, `.fastq` | Raw reads + quality | Fresh from sequencer |
| **FASTA** | `.fa`, `.fasta`, `.fna` | Sequences (no quality) | References, assemblies |
| **SAM/BAM** | `.sam`, `.bam` | Aligned reads | After alignment |
| **VCF** | `.vcf`, `.vcf.gz` | Variant calls | After variant calling |
| **BED** | `.bed` | Genomic intervals | Feature coordinates |
| **GFF/GTF** | `.gff`, `.gtf` | Gene annotations | Gene models |
| **PDB/mmCIF** | `.pdb`, `.cif` | 3D protein structures | From AlphaFold/PDB |
| **BIOM** | `.biom` | Taxa count tables | From QIIME2 |
## Marine Databases
| Database | URL | Best For |
|----------|-----|----------|
| **OBIS** | obis.org | Marine species occurrence (100M+ records) |
| **BOLD** | boldsystems.org | CO1 barcode species ID |
| **DOO** | deepoceanomics.org | Deep-sea multi-omics (72 genomes, 1112 metagenomes) |
| **GenBank** | ncbi.nlm.nih.gov/genbank | All nucleotide sequences |
| **UniProt** | uniprot.org | Protein sequences + function |
| **AlphaFold DB** | alphafold.ebi.ac.uk | 200M+ predicted structures |
- | **ESM Atlas** | esmatlas.com | 617M metagenomic protein structures |
+ | **ESM Metagenomic Atlas** | esmatlas.com | 617M metagenomic protein structures (Meta FAIR, still live) |
+ | **ESM Atlas** | biohub.ai/esm/protein/atlas | 6.8B proteins, >1B structures, SAE-feature organized |
| **Tara Oceans** | fondationtaraocean.org | Global ocean microbiome |
| **WoRMS** | marinespecies.org | Marine species taxonomy |
## Foundation Models
| Model | Scale | Input | Best For | Install |
|-------|-------|-------|----------|---------|
| **Evo 2** | 40B params | DNA | Variant effects, genome design | `pip install evo2` |
- | **ESM-2** | 15B params | Protein | Embeddings, contacts | `pip install fair-esm` |
- | **ESMFold** | Based on ESM-2 | Protein | Fast structure prediction | `pip install fair-esm` |
+ | **ESMC** | 300M/600M/6B | Protein | Embeddings, SAE features (current gen) | `pip install esm@git+https://github.com/Biohub/esm.git@main` |
+ | **ESMFold2** | On frozen ESMC 6B | Protein+DNA+RNA+ligand+modified AA | All-atom structure, binder design | same as ESMC · HF `biohub/ESMFold2` |
+ | **ESM-2** *(legacy)* | 15B params | Protein | Embeddings, contacts | `pip install fair-esm` |
+ | **ESMFold** *(legacy)* | Based on ESM-2 | Protein | Fast structure prediction | `pip install fair-esm` |
| **AlphaFold 3** | N/A | Protein+DNA+RNA+ligand | High-accuracy complexes | Docker + weights request |
| **ColabFold** | AF2+ESMFold | Protein | Batch structure prediction | `pip install colabfold` |
| **ProGen3** | Billions | Conditioning | Novel protein generation | Proprietary |
+
+ > ESM stewardship: Meta FAIR → EvolutionaryScale → **Chan Zuckerberg Biohub**. Repo moved to
+ > `github.com/Biohub/esm` and relicensed to **MIT** (2026-05-27); `facebookresearch/esm` is
+ > archived.
+ >
+ > Accuracy is **task-dependent**, vendor-self-reported, and not independently replicated as of
+ > 2026-07-21: ESMFold2 beats AlphaFold 3 head-to-head on protein-protein (76 vs 73) and
+ > antibody-antigen (53 vs 47), but AF3 leads protein-ligand and protein-DNA. Benchmark your own
+ > targets.
+ >
+ > ⚠️ Local ESMFold2 needs the **Biohub `transformers` fork** (stock transformers has no
+ > `esmfold2` module) and **Python 3.12 only** — install via
+ > `pip install esm@git+https://github.com/Biohub/esm.git@main`. **ESMC context window: 2048
+ > tokens** — chunk longer metagenomic ORFs.
For detailed specifications on each model, see [references/foundation-models.md](references/foundation-models.md).
## Detailed References
- **[references/tools-inventory.md](references/tools-inventory.md)** — Full CLI commands, install instructions, and usage examples for all 30+ tools
- **[references/marine-databases.md](references/marine-databases.md)** — Database catalog with API access patterns
- **[references/foundation-models.md](references/foundation-models.md)** — Technical specs, hardware requirements, and code examples for each model
- **[references/mcp-integration.md](references/mcp-integration.md)** — MCP server setup, agent workflow architecture, and skill companion catalog