GPU-optimized AI, Machine Learning, & HPC Software

KTH Royal Institute of Technology

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

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Open Source

The RAPIDS suite of software libraries gives you the freedom to execute end-to-end data science and analytics pipelines entirely on GPUs.

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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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Open Source

Relion

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

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Folding@home

Folding@home is a distributed computing project for simulating protein dynamics, including the process of protein folding and the movements of proteins implicated in a variety of diseases. It brings together citizen scientists who volunteer to run simulations of protein dynamics on their computers. Insights from this data are helping scientists to better understand biology, and providing new opportunities for developing therapeutics.

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The Glotzer Group

HOOMD-blue

HOOMD-blue is a highly flexible and scalable particle simulation toolkit. It makes use of high-level Python scripts to set initial conditions, control simulation parameters, and extract data for in situ analysis.

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NVIDIA

Fine-Tuning COVID-19 CT Scan Classifier

Example Jupyter Notebook Sample Code to Fine-Tune Clara Train COVID-19 CT Scan Classification Pretrained Model with Custom Dataset

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NVIDIA

AzureML Quick Launch: Clara COVID-19 CT Scan Classifier

Download pre-configured setup files to launch and fine-tune the Clara Train COVID-19 CT Scan Classification model on AzureML using the NGC-AzureML Quick Launch Toolkit

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IBM Corporation

IBM Visual Insights

IBM Visual Insights makes computer vision with deep learning more accessible to business users. The software includes an intuitive toolset that empowers subject matter experts to label, train, and deploy deep learning.

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NVIDIA

Clara Discovery

Clara Discovery is a collection of frameworks, applications, and AI models enabling GPU-accelerated computational drug discovery

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NVIDIA

Clara NLP

Clara NLP is a collection of SOTA biomedical pre-trained language models as well as highly optimized pipelines for training NLP models on biomedical and clinical text

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NVIDIA

Clara Parabricks

Clara Parabricks is a collection of software tools and notebooks for next generation sequencing, including short- and long-read applications. These tools are designed to be scalable, generating highly accurate results in an accelerated compute environmen