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OpenMM
Welcome to OpenMM. A high-performance toolkit for molecular simulation. Use it as an application, a library, or a flexible programming environment. We include extensive language bindings for Python, C, C++, and even Fortran.
Openmm.orgDA: 10 PA: 10 MOZ Rank: 11
SimTK: OpenMM: Project Home
License: OpenMM. OpenMM is a toolkit for molecular simulation. It can be used either as a stand-alone application for running simulations, or as a library you call from your own code. It. provides a combination of extreme flexibility (through custom forces and integrators), openness, and high performance (especially on recent GPUs) that make it ...
Simtk.orgDA: 9 PA: 16 MOZ Rank: 26
Openmm Open Source Community in Myanmar
Welcome to Openmm. Thank you very much for your visiting. We are looking forward to Open Source Community in Myanmar, we attempt to make a plan for public participation column. Now, we have performed successfully our first step to translate terminology, especially computer term- intending to solve the language gap and to help bloom users of ...
Openmm.netDA: 10 PA: 10 MOZ Rank: 13
GitHub - openmm/openmm: OpenMM is a toolkit for …
OpenMM is a toolkit for molecular simulation. It can be used either as a stand-alone application for running simulations, or as a library you call from your own code. It provides a combination of extreme flexibility (through custom forces and integrators), openness, and high performance (especially on recent GPUs) that make it truly unique among simulation codes.
Github.comDA: 10 PA: 14 MOZ Rank: 27
OpenMM | The OpenScience Project
OpenMM. Posted on June 27, 2014 by Dan Gezelter. OpenMM is a toolkit for molecular simulation. It can be used either as a stand-alone application for running simulations, or as a library you call from your own code. It provides a combination of extreme flexibility (through custom forces and integrators), openness, and high performance ...
Openscience.orgDA: 15 PA: 8 MOZ Rank: 27
Restraining Atom Positions — openmm-cookbook documentation
Restraining Atom Positions. ¶. Sometimes you want to run a simulation in which certain particles have their motion restricted, unable to move too far from where they started. This is called restraining particles (not to be confused with contraining particles, in which they are kept completely fixed, and which is described in another entry).
Openmm.github.ioDA: 16 PA: 50 MOZ Rank: 45
OpenMM - wikijp.org
OpenMMは、分子動力学シミュレーションのためのオープンソースのライブラリであり[1]、パンデ研究室[2]によって管理されている[3]。Python、C++、Fortranなどの言語に対応しており、GPUで高速化する機能を持っている。また、AMOEBA、GROMACS、AMBERなどの他の分子シミュレーションツールとの ...
Wikijp.orgDA: 10 PA: 12 MOZ Rank: 28
Software - Open Force Field
OpenMM. OpenMM is a high performance toolkit for molecular simulation, which can be used as a library, or as an application. It includes extensive language bindings for Python, C, C++, and even Fortran. The code is open source and actively …
Openforcefield.orgDA: 18 PA: 10 MOZ Rank: 35
Openmm :: Anaconda.org
OpenMM is a toolkit for molecular simulation. It can be used either as a stand-alone application for running simulations, or as a library you call from your own code. It provides a combination of extreme flexibility (through custom forces and integrators), openness, and high performance (especially on recent GPUs) that make it truly unique ...
Anaconda.orgDA: 12 PA: 19 MOZ Rank: 39
OpenMM - SBGrid Consortium - Supported Software
OpenMM 7: Rapid development of high performance algorithms for molecular dynamics. PLoS Computational Biology. 13(7): e1005659. PLoS Computational Biology. 13(7): e1005659. *Full citation information available through
Sbgrid.orgDA: 14 PA: 24 MOZ Rank: 47
openmm · PyPI
It is roughly equivalent to to grompp/mdrun in Gromacs, dynamic in Tinker, and pmemd in Amber. To install this package, run python setup.py install. The only dependencies are python and OpenMM. For the short help, run openmm -h. To get help on all available options, run openmm –help-all. You need to provide coordinates and specify a force field.
Pypi.orgDA: 8 PA: 16 MOZ Rank: 34
OpenMM-简介与案例 - 知乎
简介. openmm是用于分子模拟的高性能工具包。 该代码是开源，并在MIT和LGPL license下。是 Omnia(预测生物分子模拟的工具套件)的一部分。
Zhuanlan.zhihu.comDA: 18 PA: 12 MOZ Rank: 41
OpenMM - CC Doc
OpenMM is a toolkit for molecular simulation. It can be used either as a stand-alone application for running simulations or as a library you call from your own code. It provides a combination of extreme flexibility (through custom forces and integrators), openness, and high performance (especially on recent GPUs) that makes it unique among MD simulation packages. Running …
Docs.computecanada.caDA: 21 PA: 12 MOZ Rank: 45
OpenMM | Lakehead University
OpenMM. OpenMM is a toolkit for molecular simulation. It can be used either as a stand-alone application for running simulations, or as a library you call from your own code. It provides a combination of extreme flexibility (through custom forces and integrators), openness, and high performance (especially on recent GPUs).
Lakeheadu.caDA: 16 PA: 50 MOZ Rank: 37
openmm - Debian Package Tracker
A package building reproducibly enables third parties to verify that the source matches the distributed binaries. It has been identified that this source package produced different results, failed to build or had other issues in a test environment.Please read about how to …
Tracker.debian.orgDA: 18 PA: 11 MOZ Rank: 43
Openmm :: Anaconda.org
Conda install linux-64 v7.8; osx-64 v7.8; To install this package with conda run one of the following: conda install -c omnia-dev openmm conda install -c omnia-dev/label/cuda90 openmm
Anaconda.orgDA: 12 PA: 17 MOZ Rank: 44
OpenMM - CC Doc
Introduction. OpenMM is a toolkit for molecular simulation. It can be used either as a stand-alone application for running simulations or as a library you call from your own code. It provides a combination of extreme flexibility (through custom forces and integrators), openness, and high performance (especially on recent GPUs) that makes it unique among MD simulation packages.
Docs.computecanada.caDA: 21 PA: 15 MOZ Rank: 52
OpenMM restraints and constraints didn't work · Issue #2070 · …
Create an openmm system by calling createSystem on psf. system = psf.createSystem (params, nonbondedMethod=NoCutoff, nonbondedCutoff=1 nanometer, constraints=HBonds) integrator = LangevinIntegrator (300 unit.kelvin, # …
Github.comDA: 10 PA: 26 MOZ Rank: 53
openmm 7.7.0 on conda - Libraries.io
OpenMM is a toolkit for molecular simulation. It can be used either as a stand-alone application for running simulations, or as a library you call from your own code. It provides a combination of extreme flexibility (through custom forces and integrators), openness, and high performance (especially on recent GPUs) that make it truly unique among simulation codes. OpenMM is …
Libraries.ioDA: 12 PA: 13 MOZ Rank: 43
OpenMM interface — Ash 0.1 documentation
OpenMM can run either on the CPU or on the GPU platform by specifying platform as either: ‘CPU’, ‘OpenCL’ or ‘CUDA’ depending on whether there is a GPU available on the computer. For platform=’CPU’ the numcores can additionally be specified in order to control the number of CPU cores. Alternatively the shell environment variable OPENMM_CPU_THREADS can be set to …
Ash.readthedocs.ioDA: 18 PA: 32 MOZ Rank: 69
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