Hadoop-MCC: Efficient Multiple Compound Comparison Algorithm Using Hadoop.

Hadoop-MCC: Efficient Multiple Compound Comparison Algorithm Using Hadoop.
Comb Chem High Throughput Screen. 2018 Jan 02;:
Authors: Hua GJ, Hung CL, Tang CY
Abstract
In this paper, we propose a novel heterogeneous high performance computing method, named as Hadoop-MCC, integrating Hadoop and GPU, to compare huge amount of chemical structures efficiently. The proposed method gains the high availability and fault tolerance from Hadoop, as Hadoop is used to scatter input data to GPU devices and gather the results from GPU devices. A comparison of LINGO is performed on each GPU device in parallel. According to the experimental results, the proposed method on multiple GPU devices can achieve better computational performance than the CUDA-MCC on a single GPU device.
PMID: 29295690 [PubMed - as supplied by publisher]

Source: Combinatorial Chemistry and High Throughput Screening - January 2, 2018 Category: Chemistry Authors: Hua GJ, Hung CL, Tang CY Tags: Comb Chem High Throughput Screen Source Type: research