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Agent skills

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Agent skill

Free Energy Calculations

Performs alchemical free-energy calculations including relative binding free energy (RBFE / FEP+) and absolute binding free energy (ABFE) via OpenFE, FEP+, GROMACS, AMBER pmemd, and OpenMM with explicit lambda window scheduling, soft-core potentials, REST2 enhanced sampling, MBAR/BAR analysis, an...

ClaudeCodexOpenClawData & Analytics
GPTomics1,232
Agent skill · Reference

bio-free-energy-calculations

Agent skill for Researcher, Data Scientist, ML / AI Engineer, published by BioTender-max. Project details and file access are provided by the publisher.

Education & Research
BioTender-max214
Not specifiedView resource
Agent skill · Reference

research-project-designer

Agent skill for Researcher, Data Scientist, ML / AI Engineer, published by dvcrn. Project details and file access are provided by the publisher.

OpenClawEducation & Research
dvcrn33
Not specifiedView resource

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