gnnepcsaft_mcp_server
If you are the rightful owner of gnnepcsaft_mcp_server and would like to certify it and/or have it hosted online, please leave a comment on the right or send an email to henry@mcphub.com.
GNNEPCSAFT MCP Server is an implementation of the Model Context Protocol (MCP) for GNNePCSAFT tools, enabling seamless communication and context management between large language models (LLMs) and clients for advanced thermodynamic calculations.
GNNEPCSAFT MCP Server leverages Graph Neural Networks (GNNs) to estimate ePC-SAFT parameters, allowing property predictions such as density and vapor pressure for any molecule, even without experimental data. It uses FeOS for PC-SAFT calculations and supports both pure components and mixtures. The server is designed to integrate with thermodynamics-aware LLMs, automating data collection from PubChem for any molecule. This makes it a powerful tool for predicting thermodynamic properties, running property calculations for mixtures, and integrating with LLMs for chemistry and materials science applications.
Features
- Estimate ePC-SAFT parameters: Uses GNNs to estimate ePC-SAFT parameters for molecules.
- Calculate thermodynamic properties: Supports calculations of density, vapor pressure, enthalpy of vaporization, critical points, and more.
- Support for pure components and mixtures: Can handle both pure components and mixtures in calculations.
- Automatic data collection: Fetches molecular data automatically from PubChem.
- Integration with LLMs: Designed to work with thermodynamics-aware large language models.
