Research Scientist Quantum Chemistry and Machine Learning London

Isomorphic Labs; London; Hybrid; GBP 60,000 - 100,000; Full time

Job summary

An innovative company is seeking a Research Scientist in Quantum Chemistry and Machine Learning to revolutionize drug discovery. In this role, you will develop cutting-edge machine learning models and algorithms, collaborating with a diverse team of engineers and scientists. Your expertise will drive the creation of predictive models and simulations that significantly impact drug development. Join a forward-thinking organization that values creativity and collaboration, and contribute to meaningful advancements in healthcare. This is an exciting opportunity to work at the intersection of technology and biology, making a real difference in the world.

Qualifications

• PhD or equivalent in a technical field with a focus on computational chemistry.
• Experience in applied ML research and theoretical chemistry.

Responsibilities

• Develop machine learning models to enhance drug discovery.
• Run simulations for drug development projects using theoretical chemistry.

Skills

Computational Chemistry

Machine Learning

Biology

Chemistry

Physics

Education

PhD in a Technical Field

PhD in Chemistry or Physics

Tools

JAX

PyTorch

TensorFlow

NumPy

SciPy

Pandas

Job description

Research Scientist Quantum Chemistry and Machine Learning London

Join to apply for the Research Scientist Quantum Chemistry and Machine Learning London role at Isomorphic Labs.

Isomorphic Labs, a new Alphabet company, is reimagining drug discovery through a computational and AI-first approach.

Our mission is to accelerate the speed, increase the efficacy, and lower the cost of drug discovery. You will work at the cutting edge of digital biology to make a transformative social impact, benefiting millions.

Become part of a multidisciplinary team driving groundbreaking innovation and contribute to our ambitious goals within an inspiring, collaborative, and entrepreneurial culture.

Your Impact

As a Research Scientist in Quantum Chemistry and Machine Learning, you will build greenfield machine learning models and algorithms to transform drug discovery. You will work in a highly creative, fast-paced, interdisciplinary environment, collaborating with engineers and scientists to simulate biochemistry computationally, developing predictive models critical to our success. You will leverage your research experience, applying novel techniques to computational biology and chemistry challenges, leading projects that predict experimental quantities and generate data for training algorithms.

What You Will Do

• Use your expertise in theoretical chemistry to run accurate simulations for drug development projects.
• Develop computational infrastructure for large-scale simulations on cloud platforms.
• Create synthetic datasets to enhance ML model performance.
• Present research findings clearly to multidisciplinary teams.
• Collaborate with scientists and domain experts, sharing your experience.
• Lead and contribute to team projects, fostering a diverse and inclusive research environment.

Depending on Your Experience

• Mentor and guide ML research community, shaping research roadmap.
• Support development of fellow ML scientists.
• Lead ML research projects, promoting collaboration and diversity.

Essential Skills and Qualifications

• PhD or equivalent in a technical field.
• Proven experience applying computational chemistry in research.
• Strong knowledge of biology, chemistry, or physics.
• Exposure to applied ML research.

Nice to Have

• PhD in chemistry or physics.
• Research experience, publications, or contributions to ML codebases.
• Experience with ML frameworks (JAX, PyTorch, TensorFlow) and scientific software (NumPy, SciPy, Pandas).
• Knowledge of linear algebra, calculus, and statistics.
• Experience with biological or chemical data and datasets.
• Experience with ML on accelerators.
• Knowledge in deep learning, generative models, graph neural networks, RL, or related fields.

Culture and Values

We are guided by shared values: curiosity, creativity, care, fearlessness, initiative, integrity, determination, collaboration, and impact. We foster an environment of learning, support, and diversity, aiming to make a meaningful difference in healthcare.

Hybrid Working

We follow a hybrid model, requiring in-office presence 3 days a week (typically Tuesday, Wednesday, and one other day). We are open to discussing accommodations for additional needs.

Note: Application data is processed in accordance with our policies.