Metadata-Version: 2.1
Name: cgcgnet
Version: 0.1
Summary: Coarse-grained Crystal Graph Neural Networks
Author: Vadim Korolev, Artem Mitrofanov
Author-email: "Vadim Korolev, Artem Mitrofanov" <korolewadim@gmail.com>
Project-URL: Source, https://github.com/korolewadim/cgcgnet
Project-URL: Package, https://pypi.org/project/cgcgnet
Classifier: Programming Language :: Python :: 3
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: OS Independent
Requires-Python: >=3.10
Description-Content-Type: text/markdown
License-File: LICENSE
Requires-Dist: torch
Requires-Dist: dgl
Requires-Dist: matminer
Requires-Dist: rdkit
Requires-Dist: gensim

# CGCGNet

Coarse-grained crystal graph neural networks

## Installation

We strongly recommend the [Anaconda](https://www.anaconda.com) distribution of Python (3.10 release is required). You can create and activate a new conda environment with commands
```
conda create --name cgcgnet python=3.10
conda activate cgcgnet
conda install ipykernel openbabel
```

CGCGNet can be installed via the following command
```
pip install cgcgnet
```
