Flare is a comprehensive ligand- and structure-based drug design software platform, enabling medicinal and computational chemists to prioritize new molecules. In the latest V7 release, newly available functionality includes even more efficient calculations, ensemble covalent docking, even more accurate FEP and Molecular Dynamics results, improved quantitative SAR models and enhanced Quantum Mechanics calculations.
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A round-up of the latest cooling technologies for scientists using HPC to support their research.
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With the proliferation of artificial intelligence (AI) and machine learning (ML), the high-performance computing industry’s increasing workloads are contributing to environmental damage
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Autonomous vehicles could help to prevent road accidents and save billions in damages across the world each year.
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The pursuit of exascale HPC systems has been a target of the HPC community since the first petaflop system broke into the Top500 in the June 2008 edition of the biannual list of the fastest supercomputers based on the Linpack
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Simulation software is helping accelerate battery development, writes Gemma Church
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Developing skills to use advanced computing resources such as high-performance computing (HPC), artificial intelligence (AI) and machine learning (ML), and quantum computing is becoming an increasingly important skill set for
