── drMD/
|── init.py
|── README.md
|── requirements.txt
|── setup.py
|── src/
|── init.py
|── drMD.py
|── Triage/
|── init.py
|── drConfigTriage.py
|── drPdbTriage.py
|── drConfigWriter.py
└── Surgery/
|── init.py
|── drFirstAid.py
|── drMeta.py
|── drOperator.py
|── drRestraints.py
|── drSim.py
└── ExaminationRoom/
|── init.py
|── drCheckup.py
|── drCleanup.py
|── drClusterizer.py
|── drLogger.py
|── vitals_template.html
└── UtilitiesCloset/
|── init.py
|── drCustomClasses.py
|── drFixer.py
|── drMethodsWriter.py
|── drSelector.py
|── drSplash.py
|── drSplicer.py
└── Prescriptions/
|── standard_MD_config.yaml
|── em_config.yaml
|── metadynamics_config.yaml
|── PETase_config.yaml