MCP Servers Summary
parse-patrol provides a unified MCP (Model Context Protocol) server for chemistry and materials science file parsing with the following components:
🔧 Unified Server
- parse_patrol - Central MCP server that aggregates all parsing tools into a single endpoint
📊 Individual Parser Servers
- cclib - Quantum chemistry file parser supporting 25+ formats (Gaussian, ORCA, Q-Chem, etc.)
- Tool: cclib_parse_file_to_model
- Prompt: cclib_test_prompt - custom_gaussian - Specialized Gaussian output parser with enhanced features
- Tool: gauss_parse_file_to_model
- Prompt: custom_gaussian_test_prompt - iodata_parser - IOData-based parser for quantum chemistry formats
- Tool: iodata_parse_file_to_model
- Prompt: iodata_test_prompt - nomad - NOMAD-lab materials database integration
- Tools: search_nomad_entries, get_nomad_raw_files, get_nomad_archive
- Prompt: nomad_materials_prompt
📁 Additional Resources
- .pipelines/ - Example parsing pipeline scripts and test data
- .resources/ - Schema definitions for semantic and structural data
- Agent-ready integration for VS Code with MCP configuration templates
Each server can run independently or through the unified interface, providing flexible deployment options for LLM agents and automation workflows.