Project description

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

Project details

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This version

0.0.2

Dec 7, 2021

0.0.1

Oct 14, 2020

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