Developer Resources from Intel and XtalPi
Using the components of the Intel® toolkits, XtalPi could significantly accelerate Ilum, its C++ application that's designed for biopharmaceutical drug discovery. The online version of this application achieves an impressive 2.32x speedup. These performance enhancements helped expedite drug research and development (R&D) process with faster running and several other advantages, inspiring Xtalpi to dig into more optimization opportunities.
- Up to 41% better performance using Intel® oneAPI DPC++/C++ Compiler as compared to the baseline GCC* v12.1 (with O3 optimization).
- Up to 28% performance improvement in calculating Euclidean distance using Intel® oneAPI Math Kernel Library.
- Up to 38% performance improvement for the sorting function using Intel® Integrated Performance Primitives.
Learn More About XtalPi
XtalPi has accelerated biopharmaceutical research with innovations in drug discovery, chemistry, solid state, and automation.
Intel Case Study
Learn how Intel toolkits accelerated applications for XtalPi drug discovery.
"By utilizing Intel toolkits (Intel® oneAPI DPC+/C+ Compiler, Intel® oneAPI Math Kernel Library [oneMKL], Intel® Integrated Performance Primitives [Intel® IPP], and Intel® VTune™ Profiler) and employing techniques such as instruction set optimization and function substitution, we have significantly improved the performance of crystal structure comparison tool. This enhancement accelerates the drug R&D process for our customers, providing faster execution and numerous benefits. Additionally, it allows us to better exploit the hardware’s potential, resulting in increased return on investment for the R&D project."
— Xiaolu Lin, senior algorithm engineer, XtalPi
Intel® oneAPI Base Toolkit
Develop high-performance, data-centric applications for CPUs, GPUs, and FPGAs with this core set of tools, libraries, and frameworks including LLVM*-based compilers.
Intel® oneAPI HPC Toolkit
Deliver fast applications that scale across clusters with tools and libraries for vectorization, multi-node parallelization, memory optimization, and more.
Download the Stand-Alone Version
Develop performant code quickly and correctly across hardware targets, including CPUs, GPUs, and FPGAs, with this standards-based, multiarchitecture compiler.
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Find and fix performance bottlenecks and optimize application and system performance and configuration for HPC, cloud, IoT, media, storage, and more.
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Accelerate math processing routines and increase performance with advanced math routines and functions for science, engineering, or financial applications.
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Develop high-performance vision, signal, security, and storage applications with this extensive library of ready-to-use, domain-specific functions.