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Hands-On GPU Computing with Python

You're reading from   Hands-On GPU Computing with Python Explore the capabilities of GPUs for solving high performance computational problems

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Product type Paperback
Published in May 2019
Publisher Packt
ISBN-13 9781789341072
Length 452 pages
Edition 1st Edition
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Author (1):
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Avimanyu Bandyopadhyay Avimanyu Bandyopadhyay
Author Profile Icon Avimanyu Bandyopadhyay
Avimanyu Bandyopadhyay
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Table of Contents (17) Chapters Close

Preface 1. Section 1: Computing with GPUs Introduction, Fundamental Concepts, and Hardware
2. Introducing GPU Computing FREE CHAPTER 3. Designing a GPU Computing Strategy 4. Setting Up a GPU Computing Platform with NVIDIA and AMD 5. Section 2: Hands-On Development with GPU Programming
6. Fundamentals of GPU Programming 7. Setting Up Your Environment for GPU Programming 8. Working with CUDA and PyCUDA 9. Working with ROCm and PyOpenCL 10. Working with Anaconda, CuPy, and Numba for GPUs 11. Section 3: Containerization and Machine Learning with GPU-Powered Python
12. Containerization on GPU-Enabled Platforms 13. Accelerated Machine Learning on GPUs 14. GPU Acceleration for Scientific Applications Using DeepChem 15. Other Books You May Enjoy Appendix A

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...

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