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2 results in Keywords: Open source software packages

Theoretical and Computational Chemistry

Open-Source Multi-GPU-Accelerated QM/MM Simulations with AMBER and QUICK

Vinicius Cruzeiro, Madushanka Manathunga, Kenneth M. Merz, Jr., Andreas Goetz

Version 1 posted 16 February 2021

2,222

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Organic Chemistry

The Repository Chemotion: Infrastructure for Sustainable Research in Chemistry

Pierre Tremouilhac, Chia-Lin Lin, Pei-Chi Huang, Yu-Chieh Huang, An Nguyen, Nicole Jung, Felix Bach, Robert Ulrich, Bernhard Neumair, Achim Streit, Stefan Bräse

Version 1 posted 27 April 2020

756

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