MCP server for ASE and more.
Project description
Atomistic Toolkit MCP Server
[!NOTE] This project is under active development. Not everything is working yet.
An MCP-compatible server providing atomistic simulation capabilities through ASE, pymatgen, and machine learning interatomic potentials (MLIPs).
Features
ASE Tools
- Structure creation and manipulation
- Geometry optimization
- File I/O operations (read/write structures)
Release history Release notifications | RSS feed
Download files
Download the file for your platform. If you're not sure which to choose, learn more about installing packages.
Source Distribution
Built Distribution
Filter files by name, interpreter, ABI, and platform.
If you're not sure about the file name format, learn more about wheel file names.
Copy a direct link to the current filters
File details
Details for the file atomictoolkit_mcp-0.1.0.dev0.tar.gz.
File metadata
- Download URL: atomictoolkit_mcp-0.1.0.dev0.tar.gz
- Upload date:
- Size: 5.3 kB
- Tags: Source
- Uploaded using Trusted Publishing? No
- Uploaded via: uv/0.6.9
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 |
6efa3197a5fa52aded89f24442e2dc044e533a6e264467223142a647954147f9
|
|
| MD5 |
63fb92933e172fa0b4fa6a6c24107ffe
|
|
| BLAKE2b-256 |
327467dc63a154c1d3a8ccd522783502e6ea3b1ebd353103e1b9f66ef9b29746
|
File details
Details for the file atomictoolkit_mcp-0.1.0.dev0-py3-none-any.whl.
File metadata
- Download URL: atomictoolkit_mcp-0.1.0.dev0-py3-none-any.whl
- Upload date:
- Size: 7.4 kB
- Tags: Python 3
- Uploaded using Trusted Publishing? No
- Uploaded via: uv/0.6.9
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 |
3e8a1715ca3ffa9577ca02a4879163b3410cd243cb5680535a2903b7f6bdc60c
|
|
| MD5 |
ed2bd7ca0c0a9f5f40698f61cace7000
|
|
| BLAKE2b-256 |
9836ee89f76fd50edacb13a634b91cf78097e3a101017043fcf830a8848b36b7
|
