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

GPU Acceleration for Scientific Applications Using DeepChem

In this final chapter, we are going to apply all that we have learned throughout this book so far from an application perspective. DeepChem is a perfect example that combines the power of GPUs, Python, and deep learning toward solving computational problems in science.

To understand its usage as simply as possible, we will start with a brief introduction to basic scientific concepts related to the example that will follow. You will learn about molecular machine learning by revisiting some elementary terminologies in science, such as atoms, molecules, proteins, and enzymes.

A hands-on guide to install and configure DeepChem as an open-ended and closed environment will be included before testing the live example for medicinal drug prediction through deep learning. As a final thought, readers will be encouraged to develop...