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geodesic_interpolate Public
Forked from virtualzx-nad/geodesic-interpolateInterpolation of molecular geometries through geodesics in redundant internal coordinate hyperspace for complex transformations
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cookiecutter-cms Public template
Forked from MolSSI/cookiecutter-cmsPython-centric Cookiecutter for Molecular Computational Chemistry Packages
Python MIT License UpdatedOct 27, 2025 -
assemblycpp-v5 Public
Forked from croningp/assemblycpp-v5AssemblyCpp v5
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ASIC1_Selectivity_Q_vs_C Public
This is a repo for the paper on ASIC1 Selectivity Filter: Classical and Quantum Investigation of Ion Selectivity
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ls_hpc_tools Public
A repo containing some tools for running things on a HPC.
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MethylatedProtonTransfer Public
This is the repo for the paper which investigates who methylation and DNA strand separation change the proton transfer dynamics
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ase-cp2k-noshell Public
Code for the ASE CP2K calculator but without using cp2k-shell
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CenteredDifferences Public
Minimal centered differences package
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H-Tunnelling-Graphene Public
Hydrogen tunnelling on Graphene project
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Effect of Helicase Cleavage on Guanine - Cytosine Tautomerism
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