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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

Metadata

Release files for cgcgnet 0.1

For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.

Source distribution (sdist)

Source distribution for cgcgnet 0.1
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cgcgnet-0.1.tar.gz 56.9 MB Details

Built distribution (wheel)

Table of built distributions (wheels) for cgcgnet 0.1
File Interpreter ABI Platform
cgcgnet-0.1-py3-none-any.whl Python 3 none any Details

Total release size: 113.9 MB

Release files / cgcgnet-0.1.tar.gz

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Size 56.9 MB
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Release files / cgcgnet-0.1-py3-none-any.whl

Download URL cgcgnet-0.1-py3-none-any.whl
Size 57.0 MB
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