schlaicha

Alexander Schlaich's repositories

Useful scripts for Making publication ready Python Notebooks

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IPBS - An iterative Poisson-Boltzmann solver for regions with dielectric mismatch

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The ESPResSo package

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mpltex is a python package for producing publication quality images using matplotlib.

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Examples of applications of pymbar to various problems in simulation and experiment

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A python class for numerically solving the MBWR equation of state of a Lennard-Jones fluid [Schlaich & Coasne, J. Chem. Phys. 150, 154104 (2019)]

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the simple alchemistry library

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Fork of the Calico NBExtensions

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A plugin based free energy estimation tool using alchemlyb

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Public/backup repository of the gromacs molecular simulation toolkit

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Public development project of the LAMMPS MD software package

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MDAnalysis is a Python library to analyze molecular dynamics trajectories.

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My personal/research webpage

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