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GROMACS


  • HPC Tech Tips

    DeepChem – a Deep Learning Framework for Drug Discovery

    A powerful new open source deep learning framework for drug discovery is now available for public download on github.This new framework, called DeepChem, is python-based, and offers a feature-rich set of functionality for applying deep learning to…

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  • HPC Tech Tips

    How to Benchmark GROMACS GPU Acceleration on HPC Clusters

    We know that many of our readers are interested in seeing how molecular dynamics applications perform with GPUs, so we are continuing to highlight various packages. This time we will be looking at GROMACS, a well-established and free-to-use…

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