Knowledge Base Resources
Use these resources “vetted” by the community. Additional Knowledge Base Resources are always welcome.
Neural Networks in Julia
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Making a neural network has never been easier! The following link directs users to the Flux.jl package, the easiest way of programming a neural network using the Julia programming language. Julia is the fastest growing software language for AI/ML and this package provides a faster alternative to Python's TensorFlow and PyTorch with a 100% Julia native programming and GPU support.
EasyBuild Documentation
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EasyBuild is a software installation framework that allows administrators to easily build and install software on high-performance computing (HPC) systems. It supports a wide range of software packages, toolchains, and compilers.
Supported software are found in the EasyConfigs repository, one of several resositories in EasyBuild project.
MDAnalysis - Python library for the analysis of molecular dynamics simulations
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MDAnalysis is a python based library of tools for the analysis of molecular dynamics simulations. It is able to read and write many popular simulation formats including CHARMM, LAMMPS, GROMACS, and AMBER and more. This link contains the documentation pages of all MDAnalysis functions and has links to tutorials using Jupyter Notebooks.
Docker - Containerized, reproducible workflows
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Docker allows for containerization of any task - basically a smaller, scalable version of a virtual machine. This is very useful when transferring work across computing environments, as it ensures reproducibility.
Trusted CI Resources Page
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Very helpful list of external resources from Trusted CI
Python
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Python course offered by Texas A&M HPRC
UNIX/command line basics tutorial
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Introductory training materials for working on the UNIX command line.
Mechanism and Implementation of Various MPI Libraries
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There is a detailed explanation about communication routines and managing methods of different MPI libraries, as well as several exercises designed for users to get familiar with the implementation of MPI build process.
Official Python Documentation
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The official documentation for Python 3.11.5. Python comes with a lot of features built into the language, so it is worth taking a look as you code.
ACCESS Events and Training
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Listing of upcoming ACCESS related events and training activities.
Understanding LLM Fine-tuning
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With the recent uprising of LLM's many business are looking at way to adopt these LLMs and fine-tuning these models on specfic data sets to ensure accuracy. These models when fine-tuned can be optimal for fulfilling the specific needs of a company. This site explains explicitly when, how, and why models should be trained. It goes over various strategies for LLM fine -tuning.
NITRC
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The Neuroimaging Tools and Resources Collaboratory (NITRC) is a neuroimaging informatics knowledge environment for MR, PET/SPECT, CT, EEG/MEG, optical imaging, clinical neuroinformatics, imaging genomics, and computational neuroscience tools and resources.
Open-Source Server Virtualization Platform
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Proxmox Virtual Environment is a hyper-converged infrastructure open-source software. It is a hosted hypervisor that can run operating systems including Linux and Windows on x64 hardware.
Performance Engineering Of Software Systems
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A class from MITOpenCourseware that gives a hands on approach to building scalable and high-performance software systems. Topics include performance analysis, algorithmic techniques for high performance, instruction-level optimizations, caching optimizations, parallel programming, and building scalable systems.
NCSA HPC Training Moodle
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Self-paced tutorials on high-end computing topics such as parallel computing, multi-core performance, and performance tools. Other related topics include 'Cybersecurity for End Users' and 'Developing Webinar Training.' Some of the tutorials also offer digital badges. Many of these tutorials were previously offered on CI-Tutor. A list of open access training courses are provided below.
Parallel Computing on High-Performance Systems
Profiling Python Applications
Using an HPC Cluster for Scientific Applications
Debugging Serial and Parallel Codes
Introduction to MPI
Introduction to OpenMP
Introduction to Visualization
Introduction to Performance Tools
Multilevel Parallel Programming
Introduction to Multi-core Performance
Using the Lustre File System
A visual introduction to Gaussian Belief Propagation
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This website is an interactive introduction to Gaussian Belief Propagation (GBP). A probabilistic inference algorithm that operates by passing messages between the nodes of arbitrarily structured factor graphs. A special case of loopy belief propagation, GBP updates rely only on local information and will converge independently of the message schedule. The key argument is that, given recent trends in computing hardware, GBP has the right computational properties to act as a scalable distributed probabilistic inference framework for future machine learning systems.
Machine Learning in Astrophysics
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Machine learning is becoming increasingly important in field with large data such as astrophysics. AstroML is a Python module for machine learning and data mining built on numpy, scipy, scikit-learn, matplotlib, and astropy allowing for a range of statistical and machine learning routines to analyze astronomical data in Python. In particular, it has loaders for many open astronomical datasets with examples on how to visualize such complicated and large datasets.
RMACC Website
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Rocky Mountain Advanced Computing Consortium Website
Expanse Home Page
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Expanse at SDSC is a cluster designed by Dell and SDSC delivering 5.16 peak petaflops, and offers Composable Systems and Cloud Bursting.
AI/ML TechLab - Accelerating AI/ML Workflows on a Composable Cyberinfrastructure
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This technology lab contains a set of sessions to help a new user start an AI project on the ACES cluster, a composable accelerator testbed at Texas A&M University. You will learn how to create and activate a virtual environment, manipulate and visualize data with Pandas and Matplotlib, use Scikit-learn for linear regression and classification applications, and use Pytorch to create and train a simple image classification model with deep neural networks (DNN).
UCLA Extended Reality (XR) collaboration resources and Workshop
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Comprehensive Extended Reality (XR) collaboration resources for building a high performance extended reality (XR), augmented reality (AR), virtual reality (VR) and mixed reality campus teams. The tags set are a small subset of the the topics covered.
How the Little Jupyter Notebook Became a Web App: Managing Increasing Complexity with nbdev
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A tutorial entitled "How the Little Jupyter Notebook Became a Web App: Managing Increasing Complexity with nbdev" presented at SciPy 2023 in Austin, TX. This tutorial is hosted in a series of Jupyter Notebooks which can be accessed in the click of a button using Binder. See the README for more information.
Electric field analyses for molecular simulations
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Tool to compute electric fields from molecular simulations
AI for improved HPC research - Cursor and Termius - Powerpoint
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These slides provide an introduction on how Termius and Cursor, two new and freemium apps that use AI to perform more efficient work, can be used for faster HPC research.
Introduction to GPU/Parallel Programming using OpenACC
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Introduction to the basics of OpenACC.