share1992
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share1992.github.io Public
Github Pages template for academic personal websites, forked from mmistakes/minimal-mistakes
Jupyter Notebook MIT License UpdatedMay 31, 2026 -
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openpathsampling Public
Forked from openpathsampling/openpathsamplingAn open source Python framework for transition interface and path sampling calculations.
Python MIT License UpdatedJul 21, 2020 -
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catmap Public
Forked from SUNCAT-Center/catmapCatalyst Micro-kinetic Analysis Package for automated creation of micro-kinetic models used in catalyst screening
Python GNU General Public License v3.0 UpdatedNov 10, 2019 -
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dimensionality_reduction_MW Public
Scripts for and examples of reducing dimensionality of intrinsic reaction coordinates and trajectories
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energy-conservation-trajs Public
Calculates the total energy along a trajectory (specifically one using progdyn, where the potential energy is recorded as the first entry in the title line of each frame of the xyz file).
Jupyter Notebook UpdatedOct 16, 2018 -
analysis_best_practice Public
Forked from JGIBristol/analysis_best_practiceJGI course on data analysis
JavaScript UpdatedOct 15, 2018