• Plumed
• WESTPA

Tools and plugins to enhance molecular dynamics sampling

• Introduction to PyTorch for Deep Learning

PyTorch is a Python library that supports accelerated GPU processing for Machine Learning and Deep Learning. In this tutorial, I will teach the basics of PyTorch from scratch. I will then explore how to use it for some ML projects such as Neural Networks, Multi-layer perceptrons (MLPs), Sentiment analysis with RNN, and Image Classification with CNN.

• Roadmaps in Cornell Virtual Workshop
• Search for topics

Cornell Virtual Workshop is a comprehensive training resource for high performance computing topics. The Cornell University Center for Advanced Computing (CAC) is a leader in the development and deployment of Web-based training programs. Our Cornell Virtual Workshop learning platform is designed to enhance the computational science skills of researchers, accelerate the adoption of new and emerging technologies, and broaden the participation of underrepresented groups in science and engineering. Over 350,000 unique visitors have accessed Cornell Virtual Workshop training on programming languages, parallel computing, code improvement, and data analysis. The platform supports learning communities around the world, with code examples from national systems such as Frontera, Stampede2, and Jetstream2.

• https://www.udacity.com/blog/2021/01/best-r-packages-for-data-science.html

This Udacity article listed the most frequently used R packages for data science and statistics. For each package, the article provided the link to its official documentation. It will be a great start point if you want to start your data science journey in R.

• Introduction to Python book

This documentation contains introductory material on Python Programming for Digital Humanities and Computational Research. This can be a go-to material for a beginner trying to learn Python programming and for anyone wanting a Python refresher.

• Recording of CI ACCESS Talk
• Flyer about ACCESS
• Slides from CI ACCESS Talk

Materials from the SAIL meeting (https://aiinstitutes.org/2023/06/21/sail-2023-summit-for-ai-leadership/). A space where AI researchers can learn about using ACCESS resources for AI applications and research.

• FreeSurfer Tutorials

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.

• https://snakemake.readthedocs.io/en/stable/

Snakemake is a powerful and versatile workflow management system that simplifies the creation, execution, and management of data analysis pipelines. It uses a user-friendly, Python-based language to define workflows, making it particularly valuable for automating and reproducibly managing complex computational tasks in research and data analysis.

• Scikit-learn

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.

• Python Tools for Data Science

Python has become a very popular programming language and software ecosystem for work in Data Science, integrating support for data access, data processing, modeling, machine learning, and visualization. In this webinar, we will describe some of the key Python packages that have been developed to support that work, and highlight some of their capabilities. This webinar will also serve as an introduction and overview of topics addressed in two Cornell Virtual Workshop tutorials, available at https://cvw.cac.cornell.edu/pydatasci1 and https://cvw.cac.cornell.edu/pydatasci2

• Online Data Science Degree Programs

The realm of data science is one that onlookers regard with curiosity and respect. There are a lot of unknowns in this area of study that only recently became hugely relevant. It is important to get the facts on how expertise in data science is transforming the world. This article features what a bachelor’s degree means in today’s market and the future.

• Building ML models for everyone: understanding fairness in machine learning

This article discusses the importance of fairness in machine learning and provides insights into how Google approaches fairness in their ML models. The article covers several key topics: Introduction to fairness in ML: It provides an overview of why fairness is essential in machine learning systems, the potential biases that can arise, and the impact of biased models on different communities. Defining fairness: The article discusses various definitions of fairness, including individual fairness, group fairness, and disparate impact. It explains the challenges in achieving fairness due to trade-offs and the need for thoughtful considerations. Addressing bias in training data: It explores how biases can be present in training data and offers strategies to identify and mitigate these biases. Techniques like data preprocessing, data augmentation, and synthetic data generation are discussed. Fairness in ML algorithms: The article examines the potential biases that can arise from different machine learning algorithms, such as classification and recommendation systems. It highlights the importance of evaluating and monitoring models for fairness throughout their lifecycle. Fairness tools and resources: It showcases various tools and resources available to practitioners and developers to help measure, understand, and mitigate bias in machine learning models. Google's TensorFlow Extended (TFX) and What-If Tool are mentioned as examples. Google's approach to fairness: The article highlights Google's commitment to fairness and the steps they take to address fairness challenges in their ML models. It mentions the use of fairness indicators, ongoing research, and partnerships to advance fairness in AI. Overall, the article provides a comprehensive overview of fairness in machine learning and offers insights into Google's approach to building fair ML models.

• https://mc-stan.org/users/documentation/
• https://vasishth.github.io/bayescogsci/book/ch-introstan.html
• https://pystan.readthedocs.io/en/latest/

The Stan language is used to specify a (Bayesian) statistical model with an imperative program calculating the log probability density function. Here are some useful links to start your exploration of this statistical programming language, and a Python interface to Stan.

• An Introduction to Julia
• The Julia Computing Language

The Julia Programming Language is one of the fastest growing software languages for AI/ML development. It writes in manner that's similar to Python while being nearly as fast as C++, while being open source, and reproducible across platforms and environments. The following link provide an introduction to using Julia including the basic syntax, data structures, key functions, and a few key packages.

• FSL Courses

This is the official University of Oxford FSL group lecture page. This includes information on upcoming and past courses (online and in-person), as well as lecture materials. Available lecture materials includes slides and recordings on using FSL, MR physics, and applications of imaging data.

• NumPY Docs

Numpy is a python package that leverages types and compiled C code to make many math operations in Python efficient. It is especially useful for matrix manipulation and operations.

• Applications of ML in Engineering and Parameter Tuning Tutorial (RMACC 2019)

Slides for a tutorial on Machine Learning applications in Engineering and parameter tuning given at the RMACC conference 2019.

• Find Online Master's in Business Analytics

A degree in business analytics looks different in today’s world than it did a decade ago. In its most current application, business analytics uses modern data science and capabilities in machine learning (ML). The magic comes into play when these are leveraged for strategic planning.

• https://lectures.scientific-python.org/

Comprehensive tutorials and lecture notes covering various aspects of scientific computing using Python and Scipy.

• Data Imputation Methods for Climate Data and Mortality Data - Slices
• Github repository
• Data Imputation Methods for Climate Data and Mortality Data - Full Tutorial

This slices and videos introduced how to use K-Nearest-Neighbors method to impute climate data and how to use Bayesian Spatio-Temporal models in R-INLA to impute mortality data. The demos will be added soon.

• NITRC

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.

• Discover Data Science

Discover Data Science is all about making connections between prospective students and educational opportunities in an exciting new, hot, and growing field – data science.

• Fundamentals of R Programming
• Instructions for Launching learnR notebook on TAMU ACES cluster

This course is an introduction to the R programming language and covers the fundamental concepts needed to operate in the R environment. This course was taught for the ACCESS community on September 26, 2023, but the materials for the course are still available on the ACES cluster and can be completed independently. All materials are presented as learnR notebooks and cover several topics, including data types, variables, built-in functions, data structures, and plotting.

• Automated Machine Learning: Methods, Systems, Challenges

The authoritative book on automated machine learning, which allows practitioners without ML expertise to develop and deploy state-of-the-art machine learning approaches. Describes the background of techniques used in detail, along with tools that are available for free.

• Masters in Data Science Program Guide

A master’s degree in data science helps prepare professionals to take the next career step. This article will focus primarily on data science, a graduate degree in this field, and a data scientist or data analyst career. With many employers preferring a master’s degree in data science for those seeking to fill roles as data scientists or analysts, we will discuss the data science master’s degree in detail.