Luty Brock, Rose Peter W
Department of Scientific Computing, Dart NeuroScience, LLC, San Diego, CA, 92131, USA.
RCSB Protein Data Bank, San Diego Supercomputer Center, UC San Diego, La Jolla, CA, 92093, USA.
J Comput Aided Mol Des. 2017 Mar;31(3):301-304. doi: 10.1007/s10822-016-9997-x. Epub 2016 Dec 19.
Scientific software engineering is a distinct discipline from both computational chemistry project support and research informatics. A scientific software engineer not only has a deep understanding of the science of drug discovery but also the desire, skills and time to apply good software engineering practices. A good team of scientific software engineers can create a software foundation that is maintainable, validated and robust. If done correctly, this foundation enable the organization to investigate new and novel computational ideas with a very high level of efficiency.
科学软件工程是一门与计算化学项目支持和研究信息学都不同的学科。科学软件工程师不仅要对药物发现科学有深入理解,还要有应用良好软件工程实践的意愿、技能和时间。一个优秀的科学软件工程师团队能够创建一个可维护、经过验证且强大的软件基础。如果做得正确,这个基础能使组织以非常高的效率研究新的和新颖的计算理念。