ls1-mardynls1-MarDyn is a massively parallel Molecular Dynamics (MD) code for large systems. Its main target is the simulation of thermodynamics and nanofluidics. ls1-MarDyn is designed with a focus on performance and easy extensibility.
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Mutual labels: simulation, molecular-dynamics
LammpsPublic development project of the LAMMPS MD software package
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hoomd-examplesHOOMD-blue example scripts.
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Awesome Python ChemistryA curated list of Python packages related to chemistry
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Pyironpyiron - an integrated development environment (IDE) for computational materials science.
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protonsOpenMM testbed for constant-pH methodologies.
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OpenmmOpenMM is a toolkit for molecular simulation using high performance GPU code.
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Mutual labels: simulation, molecular-dynamics
grandA Python module for carrying out GCMC insertions and deletions of water molecules in OpenMM.
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Hoomd BlueMolecular dynamics and Monte Carlo soft matter simulation on GPUs.
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Molecular Design ToolkitNotebook-integrated tools for molecular simulation and visualization
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ColvarsCollective variables module for molecular simulation and analysis programs
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fahbenchFolding@home GPU benchmark
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Mutual labels: molecular-dynamics, openmm
TensormolTensorflow + Molecules = TensorMol
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openmm-tutorialsQuickstart Python tutorials helping molecular dynamics practitioners get up to speed with OpenMM
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Incoherent-Light-SimulationSimulation of the propagation of incoherent light, aiming to illustrate the concept of spatial coherence.
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Mutual labels: simulation
MAESTROA low Mach number stellar hydrodynamics code
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Mutual labels: simulation
MDToolbox.jlMDToolbox.jl: A Julia package for molecular dynamics trajectories analysis and modeling of biomolecules
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Mutual labels: molecular-dynamics
covidMolSSI SARS-CoV-2 Biomolecular Simulation Data and Algorithm Store
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Mutual labels: molecular-dynamics
plc-programmable-3d-simulationProject for students who want to learn PLC programming but don't have access to real-world machines or constructions to learn programming on.
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Mutual labels: simulation
woss-ns3WOSS is a multi-threaded C++ framework that permits the integration of any existing underwater channel simulator that expects environmental data as input and provides as output a channel realization. Currently, WOSS integrates the Bellhop ray-tracing program. Thanks to its automation the user only has to specify the location in the world and the…
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Mutual labels: simulation