GitHub - HenryTeahan/Screening_workflow: Screening workflow for computational chemistry free energy calculations on metal

Name		Name	Last commit message	Last commit date
Latest commit History 6 Commits
utils		utils
.gitignore		.gitignore
db_maker.sh		db_maker.sh
embed_worker.sh		embed_worker.sh
make_input.sh		make_input.sh
make_sp_input.sh		make_sp_input.sh
submit_orca.sh		submit_orca.sh
submit_sp_orca.sh		submit_sp_orca.sh