pharmacon is an open-source command-line suite designed for the analysis of molecular dynamics simulations. It provides tools for processing, analyzing, and managing simulation data, supporting formats like HDF5 and integrating with MDAnalysis. It is intended for computational chemists and researchers working with molecular simulations.
pharmacon is an Other dev tools product. It focuses on analyzing and processing molecular dynamics simulation data efficiently for researchers and chemists. It is built as an open-source project for computational chemists and molecular dynamics researchers. pharmacon is open source under the GPL-3.0 license. pharmacon is available on the command line.
It is developed by k-georgiou, and the product first shipped in 2026. Development happens publicly on GitHub with 39 commits in the last 90 days. Key capabilities include simulation analysis, HDF5 support, and MDAnalysis integration.
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