Metadata-Version: 2.1
Name: torchmd_cg
Version: 0.0.2
Summary: TorchMD-CG. Coarse Grained molecular dynamics with pytorch
Home-page: https://github.com/torchmd/torchmd_cg/
Author: Acellera
Author-email: info@acellera.com
License: UNKNOWN
Platform: UNKNOWN
Classifier: Programming Language :: Python :: 3
Classifier: Operating System :: POSIX :: Linux
Classifier: License :: OSI Approved :: MIT License
Description-Content-Type: text/markdown
License-File: LICENSE

# torchmd-cg

## Installation

```
conda create -n torchmd_cg
conda activate torchmd_cg
conda install pytorch torchvision cudatoolkit=10.1 -c pytorch
conda install pyyaml ipython scikit-learn tqdm
pip install pytorch-lightning
pip install torchmd-cg
```

## Usage

```
pip install moleculekit
conda install seaborn pandas jupyter
```
Check the jupyter notebook in the `tutorial` folder


