Senior Staff Scientist
1 month ago
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 the 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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