Metadata-Version: 2.3
Name: logmd
Version: 0.1.34
Summary: Log MD trajectories. 
License: MIT
Author: Alexander Mathiasen
Author-email: alexander.mathiasen@gmail.com
Requires-Python: >=3.9,<4.0
Classifier: License :: OSI Approved :: MIT License
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.9
Classifier: Programming Language :: Python :: 3.10
Classifier: Programming Language :: Python :: 3.11
Classifier: Programming Language :: Python :: 3.12
Classifier: Programming Language :: Python :: 3.13
Requires-Dist: ase (>=3.24.0,<4.0.0)
Requires-Dist: httpx (>=0.28.1,<0.29.0)
Requires-Dist: openmm (>=8.2.0,<9.0.0)
Requires-Dist: pydantic (>=2.10.6,<3.0.0)
Requires-Dist: tqdm (>=4.67.1,<5.0.0)
Requires-Dist: typer (>=0.15.2,<0.16.0)
Description-Content-Type: text/markdown

<a href='https://colab.research.google.com/drive/12adhXXF1MQIzh_vEwKX9r_iF6jV-CNHE#scrollTo=N2_uubn_2qGM' target='_blank'>

![image](https://github.com/user-attachments/assets/349a4052-66e9-4cdf-a773-b06425485bd1)

</a>

# LogMD:  Share MD While It Runs 
 <a href="https://colab.research.google.com/drive/12adhXXF1MQIzh_vEwKX9r_iF6jV-CNHE#scrollTo=N2_uubn_2qGM" target="_blank" rel="noopener noreferrer"><img src="https://colab.research.google.com/assets/colab-badge.svg" alt="Open In Colab"></a> 
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```shell
pip install logmd
```

Try in this <img src="https://colab.research.google.com/assets/colab-badge.svg" alt="Open In Colab"></a> or `logmd upload 1crn.pdb` from the terminal.

We support [Atomic Simulation Environment (ASE)](https://wiki.fysik.dtu.dk/ase/) and [OpenMM](https://github.com/openmm/openmm) - [vote here](https://github.com/log-md/logmd/issues/1) for other backends.


