GitHub - Vedasheersh/schrodinger-md-automation: scripts to automate schrodinger simulations · GitHub

Name		Name	Last commit message	Last commit date
Latest commit History 1 Commit
analyze_md_results.py		analyze_md_results.py
analyze_submit.py		analyze_submit.py
analyze_template.sh		analyze_template.sh
docking_submit.py		docking_submit.py
docking_template.sh		docking_template.sh
ensemble_docking.py		ensemble_docking.py
init_folders.py		init_folders.py
job_cdm.sh		job_cdm.sh
job_mms.sh		job_mms.sh
schrodinger_automate.py		schrodinger_automate.py
submit.py		submit.py

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scripts to automate schrodinger simulations

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