Xia-Yijie / SPONGE

Simulation Package Of Next GEneration molecular modelling

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SPONGE

SPONGE is short for "Simulation Package tOward Next GEneration molecular modelling". It is developed by Gao Group in Peking University. Visit the official website for more information.

Referemce

Huang, Y. - P., Xia, Y., Yang, L., Wei, J., Yang, Y.I.and Gao, Y.Q. (2022), SPONGE: A GPU - Accelerated Molecular Dynamics Package with Enhanced Sampling and AI - Driven Algorithms.Chin.J.Chem., 40 : 160 - 168. https ://doi.org/10.1002/cjoc.202100456

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Simulation Package Of Next GEneration molecular modelling

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Languages

Language:Cuda 98.1%Language:Batchfile 1.2%Language:CMake 0.3%Language:Makefile 0.3%