Reverse Dependencies of alchemlyb
The following projects have a declared dependency on alchemlyb:
- ABFE-Workflow — ABFE Workflow is a pipeline variant of our prior work.
- alchemistry-flamel — A command line interface (CLI) to alchemlyb.
- car-fep — Convergence-adaptive roundtrip enhanced sampling toolkits
- ensemble-md — A package for setting up, performing, and analyzing molecular dynamics ensembles using GROMACS
- MDPOW — A library for computing solvation/water partitioning coefficients using molecular dynamics simulations
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