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22 changes: 22 additions & 0 deletions .github/workflows/skill-review.yml
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# Tessl Skill Review β€” runs on PRs that change any SKILL.md; posts scores as one PR comment.
# Docs: https://github.com/tesslio/skill-review
name: Tessl Skill Review

on:
pull_request:
branches: [main]
paths:
- "**/SKILL.md"

jobs:
review:
runs-on: ubuntu-latest
permissions:
pull-requests: write
contents: read
steps:
- uses: actions/checkout@v4
- uses: tesslio/skill-review@main
# Optional quality gate (off by default β€” do not enable unless user asked):
# with:
# fail-threshold: 70
8 changes: 7 additions & 1 deletion skills/alphafold/SKILL.md
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---
name: alphafold
description: "Use when running AlphaFold2 predictions on custom protein sequences, validating designed sequences via self-consistency, predicting binder-target complexes, or interpreting AF2 confidence metrics (pLDDT, pTM, ipTM)."
metadata:
---

# AlphaFold2 Structure Prediction

Run AlphaFold2 for protein structure prediction and complex modeling. Use for validating designed sequences, predicting binder-target complexes, and calculating confidence metrics (pLDDT, pTM, ipTM).
Use when the agent needs to run AlphaFold2 for protein structure prediction and complex modeling. Covers validating designed sequences, predicting binder-target complexes, and calculating confidence metrics (pLDDT, pTM, ipTM).

Distinct from `alphafold-database` (which retrieves pre-computed structures) β€” this skill covers running AF2 predictions on custom sequences.

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8 changes: 7 additions & 1 deletion skills/boltz/SKILL.md
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---
name: boltz
description: "Use when predicting biomolecular structures (proteins, RNA, DNA, ligands) with the open-source Boltz diffusion model as an alternative to AlphaFold3."
metadata:
---

# Boltz Structure Prediction

Open-source biomolecular structure prediction using diffusion models. MSA-optional, handles proteins, RNA, DNA, small molecules, ions, and covalent modifications in a single model. Strong alternative to AlphaFold3.
Predict biomolecular structures using Boltz, an open-source diffusion model. Boltz handles proteins, RNA, DNA, small molecules, ions, and covalent modifications in a single model without requiring multiple sequence alignments (MSA-optional). It serves as a strong open-source alternative to AlphaFold3.

## Requirements

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16 changes: 11 additions & 5 deletions skills/chai/SKILL.md
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---
name: chai
description: "Use when predicting molecular structures (proteins, nucleic acids, small molecules, and complexes) with the Chai-1 foundation model via local inference or the Chai Discovery API."
metadata:
---

# Chai-1 Structure Prediction

Foundation model for molecular structure prediction. Handles proteins, nucleic acids, small molecules, and complexes. Fast inference, strong multimer performance, available via API and local install.
Use when the user needs to predict molecular structures β€” proteins, nucleic acids, small molecules, or multi-chain complexes β€” using the Chai-1 foundation model. Supports both local GPU inference and the Chai Discovery API for remote execution.

## Requirements

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## Use Cases

- **Fast validation**: Quickly predict binder-target complexes before expensive MD
- **Ligand complexes**: Predict protein-small molecule binding poses
- **Ensemble scoring**: Generate 5 models, rank by ipTM for design selection
- **Nucleic acid interactions**: Protein-DNA/RNA complex prediction
- **Fast validation**: Predicts binder-target complexes quickly before committing to expensive MD simulations.
- **Ligand complexes**: Predicts protein-small molecule binding poses from SMILES input.
- **Ensemble scoring**: Generates multiple models and ranks them by ipTM for design selection.
- **Nucleic acid interactions**: Predicts protein-DNA/RNA complex structures.
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