OpenMM: A high performance toolkit for molecular simulation. Use it as a library, or as an application. We include extensive language bindings for Python, C, C++, and even Fortran. The code is open source and actively maintained on Github, licensed under MIT and LGPL. Part of the Omnia suite of tools for predictive biomolecular simulation.
Keywords for this software
References in zbMATH (referenced in 7 articles )
Showing results 1 to 7 of 7.
- Teixeira, J. M.: taurenmd: A command-line interface for analysis of Molecular Dynamics simulations (2020) not zbMATH
- Lai, Jianqi; Li, Hua; Tian, Zhengyu; Zhang, Ye: A multi-GPU parallel algorithm in hypersonic flow computations (2019)
- Bu, Bing; Li, Dechang; Diao, Jiajie; Ji, Baohua: Mechanics of water pore formation in lipid membrane under electric field (2017)
- Michael E. Fortunato, Coray M. Colina: pysimm: A python package for simulation of molecular systems (2017) not zbMATH
- Trȩdak, Przemysław; Rudnicki, Witold R.; Majewski, Jacek A.: Efficient implementation of the many-body reactive bond order (REBO) potential on GPU (2016)
- Kim, Milhan; Lee, Youngjun; Park, Ho-Hyun; Hahn, Sang June; Lee, Chan-Gun: Computational fluid dynamics simulation based on hadoop ecosystem and heterogeneous computing (2015)
- Nicholas P. Bailey, Trond S. Ingebrigtsen, Jesper Schmidt Hansen, Arno A. Veldhorst, Lasse Bohling, Claire A. Lemarchand, Andreas E. Olsen, Andreas K. Bacher, Lorenzo Costigliola, Ulf R. Pedersen, Heine Larsen, Jeppe C. Dyre, Thomas B. Schroder: RUMD: A general purpose molecular dynamics package optimized to utilize GPU hardware down to a few thousand particles (2015) arXiv