Ericwang6

GitHub creator profile

Ericwang6

Repository-level view of 1 collected skills across 1 GitHub repositories.

github/Ericwang6 largest repo: easybfe

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2026-03-25

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1 skills · 2026-03-25

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1 skills152updated 2026-03-25

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Set up and analyze ABFE (absolute) and RBFE (relative) binding free energy calculations using the easybfe CLI, including ligand parameterization. Use when the user asks about running easybfe commands, parameterizing ligands, writing FEP config files, setting up alchemical simulations, or analyzing free energy results.

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