Project description

CGCGNet

Coarse-grained crystal graph neural networks

Installation

We strongly recommend the Anaconda 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

Project details

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This version

0.1

Nov 19, 2023

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Uploaded Nov 19, 2023 Source

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Uploaded Nov 19, 2023 Python 3

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