gnnepcsaft_mcp_server
GNNEPCSAFT MCP Server facilitates advanced thermodynamic calculations using Graph Neural Networks to estimate ePC-SAFT parameters, providing predictions for properties like density and vapor pressure. It is suitable for pure components, mixtures, and integrates with LLMs for chemistry applications.
FAQ
Q: What do I need to run the server?
A: You need Python, uvx, and the GNNEPCSAFT MCP Server package.
Q: Can I use this for mixtures as well as pure components?
A: Yes, the server supports both pure components and mixtures.
Q: Where does the molecular data come from?
A: The server can automatically fetch molecular information from PubChem.
Q: What calculations are supported?
A: Density, vapor pressure, enthalpy of vaporization, critical points, and ePC-SAFT parameter estimation.
Q: Is this open source?
A: Yes, it is licensed under the GNU General Public License v3.0.