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  • SearchSearch thousands of GPU-optimized Containers, pretrained Models, SDKs, and Helm charts—ready to accelerate AI, digital twins, and HPC from cloud to edge.
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  • Displaying 46 results
    NVIDIA HPC-Benchmarks
    NVIDIA
    The NVIDIA HPC-Benchmarks collection provides four accelerated HPC benchmarks: HPL-NVIDIA, HPL-MxP-NVIDIA, HPCG-NVIDIA, and STREAM.
    Container
    NVIDIA HPC SDK
    NVIDIA
    The NVIDIA HPC SDK is a comprehensive suite of compilers, libraries and tools essential to maximizing developer productivity and the performance and portability of HPC applications.
    Container
    NVIDIA Parabricks
    NVIDIA
    NVIDIA Parabricks is an accelerated compute framework that supports applications across the genomics industry, primarily supporting analytical workflows for DNA, RNA, and somatic mutation detection applications.
    Container
    GROMACS
    KTH Royal Institute of Technology
    GROMACS is a popular molecular dynamics application used to simulate proteins and lipids.
    Container
    CUDA GL
    NVIDIA
    CUDA is a parallel computing platform and programming model that enables dramatic increases in computing performance by harnessing the power of the NVIDIA GPUs. These images extend the CUDA images to include OpenGL support through libglvnd.
    Container
    DoMINO-Automotive-Aero NIM
    NVIDIA
    This NIM serves as a demonstration of the potential of foundation models for early stage design evaluation in automotive aerodynamics.
    Container
    LAMMPS
    Sandia National Lab
    Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) is a software application designed for molecular dynamics simulations.
    Container
    GROMACS
    KTH Royal Institute of Technology
    GROMACS is a popular molecular dynamics application used to simulate proteins and lipids.
    Container
    DPS-Server
    NVIDIA
    The Domain Power Service (DPS) is a project by NVIDIA that aims to make power use and performance better in large datacenters.
    Container
    Quantum ESPRESSO
    SISSA
    Quantum ESPRESSO is an integrated suite of Open-Source computer codes for electronic-structure calculations and materials modeling at the nanoscale based on density-functional theory, plane waves, and pseudopotentials.
    Container
    GAMESS
    Gordon Group
    GAMESS is used for computational chemistry calculations including DFT which is used to understand the potential of a drug molecule binding with proteins for drug discovery.
    Container
    DPS-BMC-Simulator
    NVIDIA
    DPS-BMC-Simulator
    Container
    DPS-UI
    NVIDIA
    The Domain Power Service (DPS) is a project by NVIDIA that aims to make power use and performance better in large datacenters.
    Container
    Relion
    Open Source
    RELION implements an empirical Bayesian approach for analysis of electron cryo-microscopy.
    Container
    PRS
    NVIDIA
    The Domain Power Service (DPS) is a project by NVIDIA that aims to make power use and performance better in large datacenters.
    Container
    CHROMA
    Jefferson Lab
    CHROMA is a Physics application designed for solving the theory of quarks and gluons.
    Container
    AutoDock-GPU
    Scripps
    The AutoDock Suite is a growing collection of methods for computational docking and virtual screening, for use in structure-based drug discovery and exploration of the basic mechanisms of biomolecular structure and function.
    Container
    julia
    Julia
    The Julia programming language is a flexible dynamic language, appropriate for scientific and numerical computing, with performance comparable to traditional statically-typed languages.
    Container
    vmd
    UIUC
    VMD is designed for modeling, visualization, and analysis of biomolecular systems such as proteins, nucleic acids, lipid membranes, carbohydrate structures, etc. VMD provides a wide variety of graphical representations for visualizing and coloring molecular structures: molecular surfaces, space-filling CPK spheres and cylinders, licorice bonds, backbone tubes and ribbons, secondary structure cartoons, and others.
    Container
    MELD
    Justin MacCallum, Alberto Perez, and Ken Dill
    MELD is a tool for inferring the structure of biomolecules from sparse, ambiguous, or noisy data. MELD combines semi-reliable data with atomistic physical models using Bayesian inference.
    Container
    IndeX
    NVIDIA
    NVIDIA IndeX™ is a leading volume visualization tool for HPC. It takes advantage of the computational horsepower of GPUs to deliver real-time performance on large datasets by distributing visualization workloads across a GPU-accelerated cluster.
    Container
    ParaView
    NVIDIA
    ParaView is one of the most popular visualization software for analyzing HPC datasets.
    Container
    DPSCTL
    NVIDIA
    NVIDIA Domain Power Service (DPS) CLI
    Container
    Tinker-HP
    Tinker Tools
    Tinker-HP is a CPUs and GPUs based, multi-precision, MPI massively parallel package dedicated to long polarizable molecular dynamics simulations and to polarizable QM/MM.
    Container

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