LUNA
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LUNA is drug discovery Python toolkit developed by Keiser Lab at UCSF Github repo
https://github.com/keiserlab/LUNA
Install Instruction
If you have trouble following LUNA's conda environment setup instruction, try this
conda create -n luna-env -c schrodinger pymol -y conda activate luna-env conda install -c conda-forge rdkit seaborn openbabel pip xopen colorlog networkx -y pip install mmh3==2.5.1 pip install biopython==1.72
BKS Cluster has LUNA conda environment set up
source /nfs/soft/LUNA/env.sh
Usage
TBD