Skip to main content
Glama
Plutor-05

gems-mcp

by Plutor-05
OverviewSchemaSourceRelated ServersDiscussionsAdmin
Python
Local

GEMS CLI

封装 xGEMS 库的热力学模拟 CLI 工具和 MCP Server，供 AI Agent 和研究者调用。

项目结构

gemscli/
├── gems_cli/                    # Python 包
│   ├── engine.py                # GemsEngine 核心封装 + GemsExplorer
│   ├── cli.py                   # CLI 入口 (gems-cli)
│   ├── mcp_server.py            # MCP Server (gems-mcp)，4 个工具
│   ├── utils.py                 # 单位转换、路径解析
│   └── templates/               # JSON 模拟模板
├── data/systems/                # 7 个预导出的 GEMS3K 热力学系统
├── examples/                    # 使用示例 + 论文复现脚本
├── docs/                        # 技术文档
├── GEMS3.11.2/                  # GEM-Selektor 分发包（二进制 + 数据库）
└── pyproject.toml

Related MCP server: MoziChem-Hub MCP Server

快速开始

1. 安装依赖

conda config --add channels conda-forge
conda create -n gems python=3.11 -y
conda activate gems
conda install xgems -y
pip install mcp                    # MCP Server 依赖
pip install -e .                   # 开发模式安装

2. 使用 CLI

# 列出可用系统
gems-cli --list-systems

# 查看系统元数据
gems-cli --system-info calcite

# 运行平衡计算（内联参数）
gems-cli --system calcite --T 25 --P 1 \
  --bulk-composition '{"Ca":0.01,"C":0.01,"H":111,"O":55.5}'

# 运行平衡计算（JSON 文件）
gems-cli --input gems_cli/templates/aragonite_calcite.json

3. 启动 MCP Server

gems-mcp                                    # stdio 模式（默认）
gems-mcp --transport sse --port 8765        # SSE 模式

可用系统

系统

元素

相

说明

calcite

10

13

Ca-C-O-H 地球化学，文石/方解石平衡

cement_hydration

24

110

完整水泥水化（C-S-H, CH, AFt, AFm 等）

iron_redox

7

4

Fe²⁺/Fe³⁺ 氧化还原体系

exchange_sorption

8

7

铀在粘土矿物上的离子交换吸附

PC_leaching

13

84

硅酸盐水泥浸出

mortar_dissolution

13

81

砂浆骨料溶解

ferrite_carbonation

8

~30

C4AF 铁铝酸盐强制碳化（从 PC_leaching 精简）

验证

本项目已通过以下文献的热力学模拟结果验证：

  1. Ma Z, Jiang Y, Ding T, et al. Elucidating the behaviours and mechanisms of enforced carbonation in ferrite. Cement and Concrete Research, 2025, 195: 107916. DOI: 10.1016/j.cemconres.2025.107916

  2. Kim N, Seo J, Jang J G, et al. Thermodynamic modeling of carbonated Portland cement under groundwater and seawater conditions. Cement and Concrete Composites, 2025, 162: 106141. DOI: 10.1016/j.cemconcomp.2025.106141

  3. Gao W, Zhao M, Li C, et al. Synergistic mechanisms of multiple components in lithium slag-based low-carbon cement: Multi-scale insights from thermodynamic modeling to hydration-driven microstructural evolution. Cement and Concrete Composites, 2026, 162: 106508. DOI: 10.1016/j.cemconcomp.2026.106508

  4. Pang L, Sun J, Provis J L, et al. Thermodynamic simulation-assisted design of the electrolytic manganese residue-slag-Ca(OH)₂ cementitious system. Cement and Concrete Research, 2025. DOI: 10.1016/j.cemconres.2025.108119

相关资源

This server cannot be deployed

One endpoint for every MCP toolRayrun runs every MCP server behind one URL and holds the credentials. Each call is decided per client, tool, and argument, then recorded.ray.runAd

Maintenance

ActivityInactive
ResponsivenessNo issues

Resources

Related MCP Connectors

Related MCP Servers