Tags · eurohpcpl-public / Unres · GitLab

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unres-multigpu-computer-physics-communications

b99984b5 · Changes for Computer Physics Communications · Oct 03, 2023
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Version for Computer Physics Communications
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unres-multigpu-applied-soft-computing

39f2b028 · Merge branch 'unres-multigpu' into 'main' · Aug 25, 2023
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UNRES-multigpu: version for the paper "Multi-GPU UNRES for scalable coarse-grained simulations of very large protein systems"
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unres-gpu-bioinformatics

8defbcd3 · Merge branch 'langevin-dynss-fix' into 'main' · May 16, 2023
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Version for the paper "UNRES-GPU for Physics-Based Coarse-Grained Simulations of Protein Systems at Biological Time- and Size-Scales".
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bdebef90 · first public release · Oct 20, 2022

Version for article "Optimization of parallel implementation of UNRES package for coarse-grained simulations to treat large proteins"