Book Image

Hands-On GPU Computing with Python

By : Avimanyu Bandyopadhyay
Book Image

Hands-On GPU Computing with Python

By: Avimanyu Bandyopadhyay

Overview of this book

GPUs are proving to be excellent general purpose-parallel computing solutions for high-performance tasks such as deep learning and scientific computing. This book will be your guide to getting started with GPU computing. It begins by introducing GPU computing and explaining the GPU architecture and programming models. You will learn, by example, how to perform GPU programming with Python, and look at using integrations such as PyCUDA, PyOpenCL, CuPy, and Numba with Anaconda for various tasks such as machine learning and data mining. In addition to this, you will get to grips with GPU workflows, management, and deployment using modern containerization solutions. Toward the end of the book, you will get familiar with the principles of distributed computing for training machine learning models and enhancing efficiency and performance. By the end of this book, you will be able to set up a GPU ecosystem for running complex applications and data models that demand great processing capabilities, and be able to efficiently manage memory to compute your application effectively and quickly.
Table of Contents (17 chapters)
Free Chapter
1
Section 1: Computing with GPUs Introduction, Fundamental Concepts, and Hardware
5
Section 2: Hands-On Development with GPU Programming
11
Section 3: Containerization and Machine Learning with GPU-Powered Python

Decoding scientific concepts for DeepChem

Before you learn about molecular machine learning and DeepChem, it is essential that we learn some elementary terminologies used in physics, mathematics, biology, and, most importantly, chemistry: the foundation of DeepChem is cheminformatics.

Cheminformatics is an interdisciplinary field unifying computer science and chemistry. It is a continuously evolving field that involves developing computational methods and software tools to analyze and interpret chemical or biochemical data.

The concepts that follow from this point onward will help you understand its usage better before you start installing, configuring, and using the tool chain.

Atom

An atom is the smallest unit of matter...