Senior Computational Researcher
1 day ago
We are seeking a highly skilled Machine Learning Scientist - Chemical Synthesis to join our team at Chemify Ltd.
The role provides the opportunity to work in an interdisciplinary team that spans engineering, robotics, chemical synthesis, drug discovery, and software development.
You will be instrumental in building and improving computational tools (UIs, algorithms, databases, etc) to complement our world-class integrated platform for all of Chemistry.
Specifically, you will use Chemify's chemical data to design, test and implement algorithms to guide the retrosynthesis of Chemify's target molecules, assess their makeability and estimate the success likelihood of the predicted reactions.
In addition, you will collaborate with the software engineering team to translate your team's research algorithms into potential Chemify software products.
You will work closely with team members from the cheminformatics teams as well as the software engineering, process engineering, and chemistry teams to contribute to the development of the most efficient, automated, and versatile chemical manufacturing laboratory in the world.
Responsibilities- 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 optimise synthetic campaigns;
- Development and implementation of R&D algorithms into software products;
- Presentation of data and recommendations to the Chemify executive team and customers, internal and external.
- 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;
- 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;
- Excellent oral and written communication & presentation skills (English fluency).
Salary: £80,000 - £100,000 per annum, depending on experience.
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