Explore projects
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GROMACS / GROMACS
GNU Lesser General Public License v2.1 onlyThe GROMACS molecular simulation toolkit.
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MAICoS / MAICoS
GNU General Public License v3.0 onlyAnalyse molecular dynamics simulations of interfacial and confined systems.
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SimNavi / Shapespyer
BSD 3-Clause "New" or "Revised" LicenseThe project provides Python tool-chain and shell scripts for molecular simulation workflows: preparation, running and analysing molecular dynamics (MD) simulations of bio- and organic soft condensed matter.
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VMD is a molecular visualization program for displaying, animating, and analyzing large biomolecular systems using 3-D graphics and built-in scripting.
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cbjh / GROMACS Chain Coordinate
Boost Software License 1.0A modification of GROMACS that implements the "chain coordinate", a reaction coordinate for pore formation in membranes and stalk formation between membranes
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An unsupervised learning program for analyzing molecular dynamics data
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Manybody DPD (https://journals.aps.org/pre/pdf/10.1103/PhysRevE.68.066702) with two evaporation protocols. The code is accelerated if running on a Nvidia GPU.
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András Wacha / gmxbatch
BSD 3-Clause "New" or "Revised" LicensePython scripting for molecular dynamics simulation using GROMACS
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Computational exercise for the Polymer Theory course @ University of Vienna
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Viktor Zaverkin / gmnn
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Manaschai Kunaseth / SC-MD
Mozilla Public License 2.0SC-MD: A Shift/Collapse (SC) Hybrid MPI/OpenMP/GPU/MIC Molecular Dynamics Code for Many-Body Potentials
SC-MD is a fast and highly scalable molecular dynamics (MD) simulator specialized for many-body potential on large-scale computing platforms.
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Ye Ting / Gmx2020PostAnalysis
MIT Licenseprovide some trajecctory analysis code for gromacs-202*
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Webpage of workshop http://baltichpc.gitlab.io/
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High-performance Matrix calculation code for ECPM molecular dynamic simulation
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Arunkumar Bupathy / OpenCL Pair Correlation
GNU General Public License v3.0 or laterCompute the pair correlation of a configuration of particles using OpenCL on a GPU.
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COSIRMA (COmputer Simulator for IRradiation of MAterials)
Graphical User Interface for simulating ion irradiation of materials with molecular dynamics using PARCAS. The project is being developed at the University of Helsinki.
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Simple real time molecular dynamics system in rust with opengl
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