LUNA: Difference between revisions
Jump to navigation
Jump to search
(→Usage) |
|||
Line 12: | Line 12: | ||
BKS Cluster has LUNA conda environment set up | BKS Cluster has LUNA conda environment set up | ||
source /nfs/soft/LUNA | source /nfs/soft/LUNA/env.sh | ||
== Usage == | == Usage == | ||
TBD | TBD |
Revision as of 19:42, 28 March 2023
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