Xplore Job Offer: Research Software Engineer

  • Toronto, ON

  • Permanent

  • Full-time

Established in 1859, the University of Toronto’s Department of Chemistry is one of Canada’s leading and recognized institutions. We take pride in our teaching excellence, advanced research facilities, and the development of distinguished scientists in the past and for the future. Our department has a wide variety of services, including chemical stores, an NMR lab, an X-Ray analysis lab, and a Mass Spectrometry lab. These resources, combined with our ambition and excitement, create an ideal place to work, research, and make an impact in scientific education.

Under the Principal Investigator’s direction, the Research Software Engineer will develop and maintain open-source research software that originates from Prof. Alán Aspuru-Guzik’s research lab. You will provide technical support to the group and collaborators, with particular regard to software and artificial intelligence (AI) algorithms used to enable autonomous experimental platforms. Responsibilities will include further development and maintenance of the ChemOS and Olympus packages, implementation of user-friendly interfaces based on feedback from collaborators, integration of the group’s software platforms with external organizations, and support the adoption of best practices of software development across the Aspuru-Guzik group. You will have the opportunity to contribute to the development of next-generation self-driving laboratories for chemistry and materials science, as well as to active research projects that take advantage of AI for accelerated materials discovery.

Your responsibilities will include:

  • Developing and maintaining component of the ChemOS and Olympus packages that supports collaboration and partnerships
  • • Working with group member and collaborators to design and implement the machine learning algorithms, and user interfaces to software packages meant to be used by experimental scientists
  • • Assisting group members and collaborators in the integration of ChemOS and AI algorithms into autonomous experimental protocols
  • • Probing for information and conducting needs assessments to determine end-user technical requirements and to provide technical support to the group, as well as to collaborators, regard to software and artificial intelligence (AI) algorithms used to enable autonomous experimental platforms
  • • Analyzing user needs and business processes to create programming solutions to integration the group’s software platforms with external organisations and support the adoption of best practices of software development across the Aspuru-Guzik group.
  • • Training end-users on procedures and the use of supported IT systems

+Essential Qualifications:

  • Bachelor’s Degree or acceptable combination of equivalent experience.
  • Minimum four years experience in the development and maintenance of complex Python packages and scientific research software.
  • Experience with data science and plotting libraries (Numpy, Scipy, Pandas, Matplotlib, Seaborn)
  • Experience with deep learning libraries (TensorFlow, PyTorch)
  • Experience with package and environment management systems (e.g. conda)
  • Experience with multi-platform (Linux, MacOS, Windows) deployment
  • Experience collaborating with an interdisciplinary team
  • Advanced programming skills in Python
  • Excellent skills in version control (e.g. Git/GitHub) and continuous integration
  • Must be detailed-oriented and with a high level of accurate.
  • Must have the ability to learn on the job


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