<p>For an up-to-date release see: https://bitbucket.org/wrs20/ppmd</p> <p>The archive contains a snapshot with a git commit hash of:</p> <p>864ef123be5b4796e2cf7f12b3de0221deb44922</p> <p> </p> <p>This is a code release to accompany a paper titled "A Domain Specific Language for Performance Portable Molecular Dynamics Algorithms". The archive contains both a framework release and example codes.</p> <p> </p> <p>The code is primarily licensed as GPL3 however one source file contains code licensed under BSD 3-clause with copyright owned by the author NVIDIA CORPORATION. Exact license terms may be found in the archive.</p> <p> </p> <p>The archive is provided as a reproducibility reference for paper results, for all other purposes please...
A molecular-dynamics program typically takes several man-years to write and therefore is representat...
AbstractThe past decade has produced numerous CPU architectural innovations. These have included mul...
AbstractGROMACS is one of the most widely used open-source and free software codes in chemistry, use...
<p>The archive contains the supporting data for the results described in the paper titled "A Domain ...
<div><p>OpenMM is a molecular dynamics simulation toolkit with a unique focus on extensibility. It a...
This article presents the GPU parallelization of new algorithms SD and DPD types for molecular dynam...
This paper investigates the development of a molecular dynamics code that is highly portable between...
The first release version of PyCGTOOL: a program for automated creation of coarse-grained molec...
OpenMM is a molecular dynamics simulation toolkit with a unique focus on extensibility. It allows us...
In this paper, we describe the performance of the parallel GROMOS87 code, developed under the ESPRIT...
Las Palmeras Molecular Dynamics (LPMD) is a Molecular Dynamics (MD) code written from scratch in C++...
This source code contains the GROMACS version used for the following manuscript: Páll, S., Zhmurov, ...
This release archives the Python script and datasets of G.A.M.E. G.A.M.E. is a dynamics programming-...
The first release version of PyCGTOOL: a program for automated creation of coarse-grained molecular ...
GROMACS is one of the most widely used open-source and free software codes in chemistry, used primar...
A molecular-dynamics program typically takes several man-years to write and therefore is representat...
AbstractThe past decade has produced numerous CPU architectural innovations. These have included mul...
AbstractGROMACS is one of the most widely used open-source and free software codes in chemistry, use...
<p>The archive contains the supporting data for the results described in the paper titled "A Domain ...
<div><p>OpenMM is a molecular dynamics simulation toolkit with a unique focus on extensibility. It a...
This article presents the GPU parallelization of new algorithms SD and DPD types for molecular dynam...
This paper investigates the development of a molecular dynamics code that is highly portable between...
The first release version of PyCGTOOL: a program for automated creation of coarse-grained molec...
OpenMM is a molecular dynamics simulation toolkit with a unique focus on extensibility. It allows us...
In this paper, we describe the performance of the parallel GROMOS87 code, developed under the ESPRIT...
Las Palmeras Molecular Dynamics (LPMD) is a Molecular Dynamics (MD) code written from scratch in C++...
This source code contains the GROMACS version used for the following manuscript: Páll, S., Zhmurov, ...
This release archives the Python script and datasets of G.A.M.E. G.A.M.E. is a dynamics programming-...
The first release version of PyCGTOOL: a program for automated creation of coarse-grained molecular ...
GROMACS is one of the most widely used open-source and free software codes in chemistry, used primar...
A molecular-dynamics program typically takes several man-years to write and therefore is representat...
AbstractThe past decade has produced numerous CPU architectural innovations. These have included mul...
AbstractGROMACS is one of the most widely used open-source and free software codes in chemistry, use...