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)
1 maintainer
Metadata
1 maintainer
Release files for atomictoolkit-mcp 0.1.1
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Source distribution (sdist)
| File | Size | Uploaded | |
|---|---|---|---|
| atomictoolkit_mcp-0.1.1.tar.gz | 5.3 kB | Details |
Built distribution (wheel)
| File | Interpreter | ABI | Platform | Reset |
|---|---|---|---|---|
| atomictoolkit_mcp-0.1.1-py3-none-any.whl | Python 3 | none | any | Details |
Total release size: 12.6 kB
Release files / atomictoolkit_mcp-0.1.1.tar.gz
| Download URL | atomictoolkit_mcp-0.1.1.tar.gz |
|---|---|
| Size | 5.3 kB |
| Tags | Source |
|
SHA-256 checksum How to use checksums |
591b5164cf410442bda3d28c9cb972dacbc46cf1069394e71c2f014a52dc52fc
|
|
BLAKE2b-256 checksum How to use checksums |
9ca03acba2b562a8b86a499f7ae024972196ef454e64f73721bf088cbdc94a4e
|
| Upload date | |
|
Uploaded using Trusted Publishing? What is trusted publishing? |
No |
| Uploaded via |
uv/0.6.9
|
Release files / atomictoolkit_mcp-0.1.1-py3-none-any.whl
| Download URL | atomictoolkit_mcp-0.1.1-py3-none-any.whl |
|---|---|
| Size | 7.3 kB |
| Tags | Python 3 |
|
SHA-256 checksum How to use checksums |
a11c1c8efd612fc7c9231f9b552289db0af640b2c94841f7dafe53950bf7c427
|
|
BLAKE2b-256 checksum How to use checksums |
ba48179af0ae323d143a332f46b169ace0787b6a8fbf3e36773314f4bcb89e81
|
| Upload date | |
|
Uploaded using Trusted Publishing? What is trusted publishing? |
No |
| Uploaded via |
uv/0.6.9
|
