OndrejMarsalek

Ondrej Marsalek's repositories

Schroedinger equation in 1D using DVR with the Fourier sine basis

Language:Python7 3 1

Analysis of molecular dynamics trajectories - orientational structure and dynamics of water around solutes

Language:C++GPL-3.05 30

A modern, open library for the analysis of molecular dynamics trajectories

Language:CLGPL-2.12 20

i-PI: a universal force engine

Language:Python1 20

MolMod is a collection of molecular modelling tools for python.

Language:PythonGPL-3.01 20

Language:Python1 20

calculates instantaneous liquid interfaces according to Willard, AP; Chandler, D; J. Phys. Chem. B, 2010, 114 (5), pp 1954–1958

Language:CGPL-3.01 20

Python code for learning Molecular Dynamics simulations

Language:Python1 20

A... M... L...

Language:PythonGPL-3.0010

Practice repo

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Quantum chemistry and solid state physics software package

Language:FortranGPL-2.0010

OpenMM is a toolkit for molecular simulation using high performance GPU code.

Language:C++010

Development version of plumed 2

Language:C++LGPL-3.0020

Language:FortranGPL-3.0020

A flexible package manager that supports multiple versions, configurations, platforms, and compilers.

Language:PythonNOASSERTION030