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cs.DC2024★ 3 cited
Dflow, a Python framework for constructing cloud-native AI-for-Science workflows
Xinzijian Liu, Yanbo Han, Zhuoyuan Li +15
In the AI-for-science era, scientific computing scenarios such as concurrent learning and high-throughput computing demand a new generation of infrastructure that supports scalable…
cs.DC2016
RepEx: A Flexible Framework for Scalable Replica Exchange Molecular Dynamics Simulations
Antons Treikalis, Andre Merzky, Haoyuan Chen +3
Replica Exchange (RE) simulations have emerged as an important algorithmic tool for the molecular sciences. RE simulations involve the concurrent execution of independent simulatio…