PERIN is Permutation-Invariant Semantic Parser developed for MRP 2020
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Aug 26, 2022 - Python
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eds
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This pipeline is executing a RE-EDS run for relative free energy calculations. It can be used for example for calculation of hydration free energies or ligand binding free energies.
python workflow hpc drug-design enhanced-sampling eds free-energy-calculations replica-exchange gromos
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Feb 18, 2024 - Python
EDS parser library for ODVA's CIP® protocol family
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Feb 3, 2025 - Python
A user interface for the hyperspy package. https://hyperspy.org/hyperspyUI
gui data-visualization data-analysis x-ray-spectroscopy materials-science spectroscopy life-sciences multi-dimensional eds physical-sciences eels hyperspy electron-energy-loss-spectroscoy
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Mar 4, 2025 - Python
EDS and EELS data analysis with HyperSpy
data-visualization data-analysis edx x-ray-spectroscopy materials-science spectroscopy multi-dimensional eds xrf physical-sciences eels hyperspy-extension hyperspy electron-spectroscopy electron-energy-loss-spectroscopy
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Mar 4, 2025 - Python
Jython script templates for DTSA-II for simulating energy-dispersive x-ray spectroscopy (EDS)
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Oct 15, 2024 - Python
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