LUNA

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