Active in computational materials discovery. Invested in open source and open science.
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https://www.radical-ai.com/
- orioncohen.com
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Highlights
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MDAnalysis/solvation-analysis
MDAnalysis/solvation-analysis PublicA comprehensive tool for analyzing liquid solvation structure.
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pymatgen-io-openmm
pymatgen-io-openmm PublicA Pymatgen IO module for setting up OpenMM simulations.
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materialsproject/pymatgen
materialsproject/pymatgen PublicPython Materials Genomics (pymatgen) is a robust materials analysis code that defines classes for structures and molecules with support for many electronic structure codes. It powers the Materials …
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MDAnalysis/mdanalysis
MDAnalysis/mdanalysis PublicMDAnalysis is a Python library to analyze molecular dynamics simulations.
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