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safep

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jhenin / SAFEP_tutorial

A tutorial for Streamlined Alchemical Free Energy Perturbations with NAMD

tutorial alchemy namd free-energy-calculations safep

Updated Mar 20, 2025
TeX

BranniganLab / safep

Tools for Analyzing and Debugging (SA)FEP calculations. See also the SAFEP Tutorial: https://github.com/jhenin/SAFEP_tutorial/tree/main Documentation: https://safep-alchemy.readthedocs.io/en/latest/

molecular-dynamics-simulation free-energy-perturbation safep

Updated Mar 12, 2025
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