/tools/FEP-Minus
FEP-Minus
quantaosun/FEP-Minus
24 stars1 forksJupyter NotebookAdded February 8, 2026
summary
FEP-Minus is a free tool for performing free energy perturbation calculations, similar to the commercial FEP Plus software. It allows users to run these calculations on cloud platforms, making it accessible for academic research in drug design and molecular simulations.
description
Academic license pre-required. While FEP Plus charge you 100,000 USD per year. Here comes the FEP-Minus, it is a Schrodinger FEP Plus identical calculation but for FREE (Only for Academic community). Give it a like if this helps you so that I know this is useful to others.
topics
free-energy-perturbationcloud-computingdrug-design
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