Quick Start

Table of contents

  1. Option A — Workflow Skills (Recommended)
    1. Available Skills
  2. Option B — Jupyter Notebooks

Skills are guided workflows that orchestrate multiple MCP servers via Claude Code.

# Install a workflow (auto-installs all required MCPs)
pskill install fitness_modeling

# Launch Claude Code and run the skill
claude
> /fitness-model

Claude will prompt you for inputs (protein name, data location, etc.) and execute the full pipeline.

Available Skills

Skill Required MCPs Description
fitness_modeling msa_mcp, plmc_mcp, ev_onehot_mcp, esm_mcp, prottrans_mcp Protein fitness prediction
binder_design bindcraft_mcp De novo binder design (RFdiffusion + ProteinMPNN + AF2)
nanobody_design boltzgen_mcp Nanobody CDR loop design with BoltzGen

Option B — Jupyter Notebooks

Standalone notebooks for step-by-step exploration. Each notebook installs dependencies, registers MCPs, and walks through the full workflow.

Notebook Workflow Description
fitness_modeling.ipynb Fitness Prediction MSA, PLMC, EV+OneHot, ESM, ProtTrans, and visualization
binder_design.ipynb Binder Design De novo binder design with BindCraft
nanobody_design.ipynb Nanobody Design Nanobody CDR loop design with BoltzGen

Copyright © 2025 Charles XU. Distributed under the MIT License.