Associate Director, Quantum Mechanics / Molecular Dynamics

Description

Exscientia is an AI-driven pharmatech company committed to discovering, designing and developing the best possible drugs in the fastest and most effective manner. We developed the first-ever functional precision oncology platform to successfully guide treatment selection and improve patient outcomes in a prospective interventional clinical study, as well as to progress AI-designed small molecules into the clinical setting. Our pipeline demonstrates our ability to rapidly translate scientific concepts into precision-designed therapeutic candidates, with more than 15 projects underway. By designing better drugs, faster, we believe the best ideas of science can rapidly become the best medicines for patients.

The Role

Exscientia has recently embarked on an exciting new journey to build a state-of-the-art, physics-based predictive sciences platform. This new platform combines cutting edge technologies from the fields of Molecular Dynamics, Quantum Mechanics and Machine Learning. The vision of the platform is to accurately predict the properties of new chemical matter using a solid basis in statistical mechanics and quantum mechanics in order to prioritise the most promising candidates through our AI drug Discovery pipeline.

We are seeking someone to lead a matrix-structured team of individuals with backgrounds in MD, QM and ML to develop and implement this platform within our current technology infrastructure. As a Technology leader, you will support the expansion and deployment of this platform to our Drug Designer Teams. You will work closely with our Engineering Team, AI and MD/QM scientists to innovate new methods and implement the current state of the art.

Please note this is a hybrid role so regular travel is required to our Miami, Florida office (approximately once per week in Miami 33137), with flexibility to work from home the remaining time. We are willing to discuss other arrangements that would provide similar contact time with the team.

You will have the opportunity to:

• Research and innovate Quantum-Mechanically based Neural Network potentials for accurate predictions of drug affinity.
• Lead the development of a first-in-class, physics-based platform to quickly prioritise the most promising candidates in our pipeline.
• With support from senior leadership, play a strategic role defining roadmaps and justification for future platform enhancements and communicate strategy to key stakeholders.
• Work with Designers, Engineering and Automation teams to integrate methods and algorithms into our current technology platform.
• Be an inspiring leader to a team of QM, MD and ML scientists, providing your team with tools and support, whilst developing and coaching your team to maximise the potential of each individual.
• Work with academic and industrial partners to develop and evaluate the most promising new technologies.

Requirements

Essential skills:

• Experience leading engineering and scientific projects and setting vision and strategic goals.
• In-depth knowledge of HPC environments including in Unix/Linux operating systems, bash/shell scripting, SLURM workload management, latest GPU/CPU hardware including high speed interconnects.
• Excellent programming skills, preferably Python for scripting, C/C++, data analysis, pipelining and tool development.
• Strong interpersonal skills, as well as the ability to function in a multidisciplinary team environment.
• PhD in Physics, Chemistry, Mathematics or a related subject area with 5+ years experience in the pharmaceutical industry or equivalent.
• Passionate about the idea of discovering novel therapeutics by application of technology and enthusiasm to challenge the status-quo.
• Detailed knowledge of various software packages and toolkits such as: QM (e.g. PSI4, Orca, CP2K etc), MD (Amber, Gromacs, and NAMD, with applications in Free Energy determination), and ChemInformatics (OE, Rdkit).
• Proven track record of leading high performing scientists, develop new methods and algorithms in the area of QM/MD and ML.

Desired skills:

• Experience with cloud computing environments such as AWS.
• Experience working on active small molecule drug discovery projects.
• Development and maintenance of internal software, including the creation of well documented user-friendly tools.
• Experience of Artificial Intelligence algorithms and their applications to QM/MD modelling, with a track record of developing and implementing such QM/MD/AI algorithms.
• Strong scientific track record of open-source contributions, peer-reviewed publications, patent applications, conference posters and/or oral presentations.

Benefits

• Work together to make a positive contribution to patients by revolutionising the pharmaceutical industry through AI-driven discovery.
• We will work with you to provide a highly competitive compensation as we continue to grow and thrive.
• We offer a generous holiday allowance, and provide flexible working and remote working to encourage all of our team to manage their own work, time and life.
• Our team’s health and well-being is important to us so we provide private healthcare, dental cover, optical cover, life assurance, virtual GP Service, wellbeing and mindfulness support, and a 401k plan.
• Work in the heart of Miami. We are just a block away from the waterfront, within walking distance of the Wynwood Art District and across the bridge from South Beach.
• Join an inclusive, collaborative and intellectually stimulating culture.
• Hear from our team why they enjoy working here.
• We will work with you to kick-start or further grow your career – from funding for professional development and conference attendance to the opportunity to acquire valuable skills, work on problems that matter, and learn from world-class technological and scientific leaders.