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    GPU Computing, HPC, Molecular Dynamics, Relion for Cryo-EM

    GPU Accelerated Cryo-EM using RELION: From Workstation to Supercomputer

    Cryo-EM & the Emergence of Massive Datasets With advancements in automation, compute power and visual technology, the scope and complexity of datasets used in cryo-EM have grown substantially. However, various…

    Exxact Corporation, September 10, 2019 0 4 min read
    LAMMPS, Molecular Dynamics

    LAMMPS Patch Release 19 July 2019

    New LAMMPS Patch Release Update LAMMPS Changes since patch release 18 June 2019: optimized version of SNAP potential in KOKKOS package, Rahul Gayatri (NERSC), Stan Moore (SNL), Aidan Thompson (SNL),…

    Exxact Corporation, July 25, 2019 0 2 min read
    Deep Learning, Molecular Dynamics

    Deep Learning Meets Molecular Dynamics: “Predicting Correctness of Protein Complex Binding Operations”

    For this blog post, James Montantes from Exxact sat down with some Stanford CS students to discuss their project “Predicting Correctness of Protein Complex Binding Operations”  that was presented at the CS229…

    Exxact Corporation, July 19, 2019 0 19 min read
    LAMMPS, Molecular Dynamics, News

    LAMMPS Patch Release 18 June 2019

    Changes since patch release 5 June 2019: using PLUMED to compute committor with LAMMPS, PR #1516, Gareth Tribello, Queen’s U Belfast) correctly support hybrid pair styles with computes from the USER-TALLY…

    Exxact Corporation, June 20, 2019 0 2 min read
    Deep Learning, GPU Computing, HPC, Molecular Dynamics

    A Summary of DeepMind’s Protein Folding Upset at CASP13

    At last year’s Critical Assessment of protein Structure Prediction competition (CASP13), researchers from DeepMind made headlines by taking the top position in the free modeling category by a considerable margin,…

    Marketing, June 11, 2019 0 8 min read
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