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.
MOPAC
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MOPAC (Molecular Orbital PACkage) is a semi-empirical quantum chemistry package used to compute molecular properties and structures by using approximations of the Schrödinger equation. This tutorial explains the process of using MOPAC for different forms of calculations.
Geocomputation with R (Free Reference Book)
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Below is a link for a book that focuses on how to use "sf" and "terra" packages for GIS computations. As of 5/1/2023, this book is up to date and examples are error free. The book has a lot of information but provides a good overview and example workflows on how to use these tools.
FreeSurfer Tutorials
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The official MGH / Harvard tutorial page for FreeSurfer. The FreeSurfer group has provided and designed a series of tutorials for using FreeSurfer and for getting acquainted with the concepts needed to perform its various modes of analysis and processing of MRI data. The tutorials are designed to be followed along in a terminal window where commands can be copy/pasted instead of typed.
The Official Documentation of Pandas
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Pandas is one of the most essential Python libraries for data analysis and manipulation. It provides high-performance, easy-to-use data structures, and data analysis tools for the Python programming language. The official documentation serves as an in-depth guide to using this powerful tool including explanations and examples.
Header-only C++ JSON library
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JSON is a lightweight format for storing and transporting data, for example in a config file. This library is header-only, and has easy-to-read documentation. It is a C++ library.
Research Software Development in JupyterLab: A Platform for Collaboration Between Scientists and RSEs
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Iterative Programming takes place when you can explore your code and play with your objects and functions without needing to save, recompile, or leave your development environment. This has traditionally been achieved with a REPL or an interactive shell. The magic of Jupyter Notebooks is that the interactive shell is saved as a persistant document, so you don't have to flip back and forth between your code files and the shell in order to program iteratively.
There are several editors and IDE's that are intended for notebook development, but JupyterLab is a natural choice because it is free and open source and most closely related to the Jupyter Notebooks/iPython projects. The chief motivation of this repository is to enable an IDE-like development environment through the use of extensions. There are also expositional notebooks to show off the usefulness of these features.
Introduction to MP
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Open Multi-Processing, is an API designed to simplify the integration of parallelism in software development, particularly for applications running on multi-core processors and shared-memory systems. It is an important resource as it goes over what openMP and ways to work with it. It is especially important because it provides a straightforward way to express parallelism in code through pragma directives, making it easier to create parallel regions, parallelize loops, and define critical sections. The key benefit of OpenMP lies in its ease of use, automatic thread management, and portability across various compilers and platforms. For app development, especially in the context of mobile or desktop applications, OpenMP can enhance performance by leveraging the capabilities of modern multi-core processors. By parallelizing computationally intensive tasks, such as image processing, data analysis, or simulations, apps can run faster and more efficiently, providing a smoother user experience and taking full advantage of the available hardware resources. OpenMP's scalability allows apps to adapt to different hardware configurations, making it a valuable tool for developers aiming to optimize their software for a range of devices and platforms.
AHPCC documentary
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This link is a documentary website to use AHPCC.
Scikit-Learn: Easy Machine Learning and Modeling
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Scikit-learn is free software machine learning library for Python. It has a variety of features you can use on data, from linear regression classifiers to xg-boost and random forests. It is very useful when you want to analyze small parts of data quickly.
Better Scientific Software (BSSw)
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The Better Scientific Software (BSSw) project provides a community to collaborate and learn about best practices in scientific software development. Software—the foundation of discovery in computational science & engineering—faces increasing complexity in computational models and computer architectures. BSSw provides a central hub for the community to address pressing challenges in software productivity, quality, and sustainability.
Samtools Documentation
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Samtools is a suite of programs for interacting with high-throughput sequencing data, especially in the SAM/BAM format. It offers various utilities for processing, analyzing, and managing sequence data generated from next-generation sequencing (NGS) experiments. Samtools is widely used in bioinformatics and genomics research for tasks such as read alignment, variant calling, and data manipulation.
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.
Regular Expressions
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Regular expressions (sometimes referred to as RegEx) is an incredibly powerful tool that is used to define string patterns for "find" or "find and replace" operations on strings, or for input validation. Regular Expressions are used in search engines, in search and replace dialogs of word processors and text editors, and text-processing Linux utilities such as sed and awk. They are supported in many programming languages, including Python, R, Perl, Java, and others.
Jetstream2 Status
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Jetstream2 makes cutting-edge high-performance computing and software easy to use for your research regardless of your project’s scale—even if you have limited experience with supercomputing systems.Cloud-based and on-demand, the 24/7 system includes discipline-specific apps. You can even create virtual machines that look and feel like your lab workstation or home machine, with thousands of times the computing power.
Moving-Lid-Driven Flow Simulation by Finite Difference Method
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The listed repository contains code written in C++ to model the flow inside a cavity with a lid moving above from left to right by discretizing incompressible N-S equations with finite difference method. For the governing equations, artificial viscosity has been considered to increase the stability. In terms of solving the resulted algebraic equation system, both the Point Jacobi Method and Symmetric Gauss Seidel methods have been used for the iteration process.
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.
Harnessing the Power of Cloud and Machine Learning for Climate and Ocean Advances
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Documentation and presentation on how to use machine learning and deep learning framework using TensorFlow, Keras and sci-kit learn for Climate and Ocean Advances
Feed Forward NNs and Gradient Descent
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Feed-forward neural networks are a simple type of network that simply rely on data to be "fed-forward" through a series of layers that makes decisions on how to categorize datum. Gradient descent is a type of optimization tool that is often used to train machines. These two areas in ML are good starting points and are the easiest types of neural network/optimization to understand.
ACCESS KB Guide - DELTA
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NCSA is the home of Delta, a computing and data resource that balances cutting-edge graphics processor and CPU architectures with a non-POSIX file system with a POSIX-like interface. Delta allows applications to reap the benefits of modern file systems without rewriting code.
Regulated Research Community of Practice
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The daily news clearly shows the increasing threat to safety and privacy of data, personal as well as intellectual property. While the requirements such as DFARS 7012, HIPAA, and Cybersecurity Maturity Model Certification (CMMC) improve the consistency of data handling between agencies and contractors and grantees, it leaves academic institutions to figure out how to meet such requirements in a cost-effective way that fits the research and education mission of the institution. Most institutions, agencies, and companies act in isolation with one-off contract language to address data security and safeguarding concerns. Even though cybersecurity has a clear and uniform goal of protecting data, a onesize solution does not fit all academic institutions.
By supporting this community with development of a community strategic roadmap, regular discussions and workshops, and a repository of generalized and specific resources for handling regulated research programs RRCoP lowers the barrier to entry for institutions handling new regulations.
Natural Language Processing with Deep Learning
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CS244N is a renowned natural language processing course offered by Stanford University and taught by Christopher Manning. It covers a wide range of topics in NLP, including language modeling, machine translation, sentiment analysis, and more. It teaches both foundational concepts and cutting-edge research to gain a comprehensive understanding of NLP techniques and applications.
Spack Documentation
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Spack is a package manager for supercomputers that can help administrators install scientific software and libraries for multiple complex software stacks.
Neurodesk
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Neurodesk provides a containerised data analysis environment to facilitate reproducible analysis of neuroimaging data. Analysis pipelines for neuroimaging data typically rely on specific versions of packages and software, and are dependent on their native operating system. These dependencies mean that a working analysis pipeline may fail or produce different results on a new computer, or even on the same computer after a software update. Neurodesk provides a platform in which anyone, anywhere, using any computer can reproduce your original research findings given the original data and analysis code.
OpenMP and Multithreaded Jobs in GRASS
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Techniques and support for multithreaded geospatial data processing in GRASS.