Our mission at Xyme is to solve important societal problems by revolutionizing the practice of synthetic chemistry through what we call
xymes
- AI-generated enzymes that can catalyze any reaction. As an innovative startup based in Oxford and Manchester, UK, we bring together interdisciplinary teams of scientists, engineers, and data specialists to push the boundaries of enzyme design. Our dynamic and collaborative work environment is fueled by a passion for innovation. We cultivate a culture of continuous learning and improvement, where every team member can make a lasting impact on our groundbreaking research and real-world applications. As a ( Senior) Research Scientist, Theozyme Design
you will be at the forefront of our mission to catalyse the AI-generated enzyme design revolution. You will be part of an exceptional interdisciplinary team that will drive the development and implementation of our data science and predictive modelling capabilities, in collaboration with research scientists and data/ML engineers. This role will focus on using the latest genAI techniques including Diffusion Models, (Continuous) Normalizing Flows and Flow Matching to design enzyme reaction pockets. This individual will work closely with data scientists, AI researchers and engineers to design ranking and filtering capabilities. You will combine your technical expertise with your passion for innovation, ultimately contributing to solving important societal problems. What you will do
Assist with development and benchmarking of generative methods for enzyme pocket / theozyme design
Enable development of enzyme design filtering and ranking capabilities, leveraging AI and physics-based methods.
Enable development of a resilient, model agnostic platform and its continuous evolution, by following coding standards, best practices, and benchmarking processes.
Collaborate closely with other research scientists on a daily basis and provide technical guidance to support the development of our protein design platform.
Cultivate strategic partnerships by working with our technical leaders to identify, engage, and build beneficial relationships with key academic leaders in the field.
What you will bring
Experience in the use of genAI methods for enzyme pocket design, ideally with published, and peer-reviewed publications.
Experience with protein structure and enzyme databases as well as with protein structure preparation and curation.
Solid understanding of protein structure and function ( e.g , protein-ligand interactions, enzymes, catalytic sites).
Proficiency with Python and its ecosystem for software development and compute infrastructure.
Strong communication skills, a passion to innovate and to contribute to a positive team culture and healthy work environment.
A deep interest in our mission to revolutionise the way enzymes are designed.
Nice to have
Experience with pre-training, refinement, fine-tuning, inference and scaling models to multi-GPU set ups and experience with method validation and benchmarking.
Familiarity with SOTA deep learning architectures including, but not limited to, diffusion models, (continuous) normalizing flows, protein language models/transformer, GNNs.
A strong publication track record in the field of AI protein design.
Proficiency in Python and experience with HPC and cloud environments.
What you will get from us
Be part of a fantastic team working together at the forefront of the field.
Attend and present on relevant conferences and meetings.
A supportive and collaborative culture and work environment.
#J-18808-Ljbffr
xymes
- AI-generated enzymes that can catalyze any reaction. As an innovative startup based in Oxford and Manchester, UK, we bring together interdisciplinary teams of scientists, engineers, and data specialists to push the boundaries of enzyme design. Our dynamic and collaborative work environment is fueled by a passion for innovation. We cultivate a culture of continuous learning and improvement, where every team member can make a lasting impact on our groundbreaking research and real-world applications. As a ( Senior) Research Scientist, Theozyme Design
you will be at the forefront of our mission to catalyse the AI-generated enzyme design revolution. You will be part of an exceptional interdisciplinary team that will drive the development and implementation of our data science and predictive modelling capabilities, in collaboration with research scientists and data/ML engineers. This role will focus on using the latest genAI techniques including Diffusion Models, (Continuous) Normalizing Flows and Flow Matching to design enzyme reaction pockets. This individual will work closely with data scientists, AI researchers and engineers to design ranking and filtering capabilities. You will combine your technical expertise with your passion for innovation, ultimately contributing to solving important societal problems. What you will do
Assist with development and benchmarking of generative methods for enzyme pocket / theozyme design
Enable development of enzyme design filtering and ranking capabilities, leveraging AI and physics-based methods.
Enable development of a resilient, model agnostic platform and its continuous evolution, by following coding standards, best practices, and benchmarking processes.
Collaborate closely with other research scientists on a daily basis and provide technical guidance to support the development of our protein design platform.
Cultivate strategic partnerships by working with our technical leaders to identify, engage, and build beneficial relationships with key academic leaders in the field.
What you will bring
Experience in the use of genAI methods for enzyme pocket design, ideally with published, and peer-reviewed publications.
Experience with protein structure and enzyme databases as well as with protein structure preparation and curation.
Solid understanding of protein structure and function ( e.g , protein-ligand interactions, enzymes, catalytic sites).
Proficiency with Python and its ecosystem for software development and compute infrastructure.
Strong communication skills, a passion to innovate and to contribute to a positive team culture and healthy work environment.
A deep interest in our mission to revolutionise the way enzymes are designed.
Nice to have
Experience with pre-training, refinement, fine-tuning, inference and scaling models to multi-GPU set ups and experience with method validation and benchmarking.
Familiarity with SOTA deep learning architectures including, but not limited to, diffusion models, (continuous) normalizing flows, protein language models/transformer, GNNs.
A strong publication track record in the field of AI protein design.
Proficiency in Python and experience with HPC and cloud environments.
What you will get from us
Be part of a fantastic team working together at the forefront of the field.
Attend and present on relevant conferences and meetings.
A supportive and collaborative culture and work environment.
#J-18808-Ljbffr
