GPU-optimized AI, Machine Learning, & HPC Software

NVIDIA

The NVIDIA HPC-Benchmarks collection provides four accelerated HPC benchmarks: HPL-NVIDIA, HPL-MxP-NVIDIA, HPCG-NVIDIA, and STREAM.

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NVIDIA

NVIDIA HPC SDK

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.

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NVIDIA

NVIDIA Parabricks

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.

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KTH Royal Institute of Technology

GROMACS

GROMACS is a popular molecular dynamics application used to simulate proteins and lipids.

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NVIDIA

CUDA GL

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.

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NVIDIA Developer Program

NVIDIA

DoMINO-Automotive-Aero NIM

This NIM serves as a demonstration of the potential of foundation models for early stage design evaluation in automotive aerodynamics.

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Gordon Group

GAMESS

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.

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SISSA

Quantum ESPRESSO

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.

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Sandia National Lab

LAMMPS

Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) is a software application designed for molecular dynamics simulations.

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NVIDIA

DPS-Server

The Domain Power Service (DPS) is a project by NVIDIA that aims to make power use and performance better in large datacenters.

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NVIDIA

DPS-BMC-Simulator

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NVIDIA

DPS-UI

The Domain Power Service (DPS) is a project by NVIDIA that aims to make power use and performance better in large datacenters.

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NVIDIA

PRS

The Domain Power Service (DPS) is a project by NVIDIA that aims to make power use and performance better in large datacenters.

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Jefferson Lab

CHROMA

CHROMA is a Physics application designed for solving the theory of quarks and gluons.

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Open Source

Relion

RELION implements an empirical Bayesian approach for analysis of electron cryo-microscopy.

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Scripps

AutoDock-GPU

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.

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KTH Royal Institute of Technology

GROMACS

GROMACS is a popular molecular dynamics application used to simulate proteins and lipids.

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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.

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UIUC

vmd

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.

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Tinker Tools

Tinker-HP

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.

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NVIDIA

ParaView

ParaView is one of the most popular visualization software for analyzing HPC datasets.

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NVIDIA

Domain Power Service (DPS)

The Domain Power Service (DPS) is a project by NVIDIA that aims to make power use and performance better in large datacenters.

Helm Chart

NVIDIA

NGC Pre-Flight Check

The Pre-Flight Check container verifies that the container runtime is setup correctly for GPUs and InfiniBand.

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NVIDIA

IndeX

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.

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