Senior Staff Scientist

2 months ago

Glasgow, Glasgow City, United Kingdom SLS Services Limited Full time
Machine Learning Scientist

Are you passionate about revolutionizing drug discovery and development? Do you have a strong background in machine learning and a desire to lead cutting-edge projects? We are seeking a highly skilled Machine Learning Scientist to join our interdisciplinary team working at the forefront of chemistry, robotics, and software engineering.

Role Overview:

As a Machine Learning Scientist, you will play a pivotal role in building and improving computational tools to complement our integrated platform. You will also build algorithms to convert extracted data to standard processes.

  • Prepare, process, clean, and annotate datasets for machine learning development.
  • Influence data ingestion engines to ensure pristine and well-annotated data for short- and long-term applications are systematically acquired from the laboratory or third-party sources.
  • Develop, benchmark, and rapidly iterate on deterministic and AI/Deep Learning methods for template-based and template-free retrosynthesis towards continuously improving performance.
  • Design, test, and implement algorithms for chemical space exploration and optimize synthetic campaigns.
  • Development and implementation of R&D algorithms into software products.
  • Presentation of data and recommendations to the executive team and customers, internal and external.
Requirements:
  • PhD degree in Data Science/AI, Computer Science, Cheminformatics, Bioinformatics, or equivalent professional experience.
  • Successful development and deployment of AI/ML/DL-based tools in high-value applications.
  • Deep domain expertise in applied mathematics and primitives used in AI/ML/DL.
  • Cross-functional inclination to partner with strong software engineers.
  • Knowledge of cheminformatics and retrosynthesis.
  • Strong proficiency with ML toolkits (PyTorch, TensorFlow, Scikit-Learn, etc.) and deployment of software on high-performance compute clusters.
  • Understanding of the latest AI research and ability to efficiently implement these systems.
  • Proficiency with cloud platforms like AWS for ML applications.
  • Keen interest in chemistry and willingness to learn chemical concepts fast.
  • Proficiency in contemporary software engineering approaches, including CI/CD, version control, and unit testing.
Desired Skills & Attributes:
  • Experience successfully building computational retrosynthesis a plus.
  • Experience with RDKit toolkit and reaction SMARTS syntax.
  • Experience in the development & deployment of large-scale ML algorithms.
  • Experience leading interdisciplinary teams to deliver results under tight deadlines, preferably using Agile/Scrum-based project management.
  • Familiarity with database tools such as RDBMS (e.g., MySQL) or NO-SQL (e.g., MongoDB).

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