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ale94mleon/BindFlow

A snakemake-based workflow for FEP and MM(PB/GB)SA calculations with GROMACS

Owner
ale94mleon (personal account)
Stars
Stars: 169
Forks
Forks: 18
Language
Python
License
GPL-3.0
Created
2023
Topics
drug-designdrug-discoveryabfemmpbsafephigh-throughput
Tier
Prototype (100 to 249 ★) What this tier means
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