The idea for this paper arose during talking over coffee at the BioExcel Alchemical Free…
Category: GPUs
computing
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GROMACS on AWS: compiling against CUDA
If you want to compile GROMACS to run on a GPU Amazon Web Services EC2…
antimicrobial resistance
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New preprint: rapid prediction of AMR by free energy methods
The story behind this preprint goes back to the workshop on free energy methods run…
computing
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GROMACS on AWS: Performance and Cost
So we have created an Amazon Machine Image (AMI) with GROMACS installed. In this post…
computing
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GROMACS2018 on NVIDIA DGX-1s
HECBioSim advertised for proposals to use JADE, the new Tier-2 UK GPU high performance computer…
antimicrobial resistance
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Accelerating Oxford Nanopore basecalling
It looks innocuous sitting on the desk, an Oxford Nanopore MinION, but it can produce…