#chemistry

7 results found

Chemmcp

Flash Calculation

Flash Calculations MCP (flash-calculations-mcp) Vapor-liquid equilibrium calculations Multi-component phase equilibrium Temperature and pressure flash calculations Bubble point and dew point calculations

Eos Models

EOS Models MCP (eos-models-mcp) Equation of State calculations using various models (Peng-Robinson, Soave-Redlich-Kwong, Redlich-Kwong, van der Waals) Fugacity calculations for pure components and mixtures Thermodynamic property predictions Phase behavior analysis

Rowan Mcp: A Server For Running Complex Computational Chemistry Tasks

This project wraps an MCP (Model Context Protocol) around Rowan's tools, making it easy for users to submit complex chemistry and biology calculations in natural everyday language.

XTB MCP Server / XTB MCP 服务器

The XTB MCP Server is a Model Context Protocol (MCP) server that provides comprehensive tools for generating Extended Tight-Binding (XTB) quantum chemistry calculation input files. This server integrates seamlessly with AI assistants like Claude, Cursor, and Windsurf to enable intelligent quantum chemistry workflow automation.

ABACUS MCP Server

ABACUS, an open-source DFT-based simulation platform, is supported by an MCP server that provides a structured communication interface for submitting, managing, and executing tasks.

Molecule Visualizer MCP Server

MCP server for visualizing molecules in Claude Desktop :)