Job description

Kuano and Newcastle University are offering an exciting opportunity to use Artificial Intelligence to improve predictions of chemical properties for use in computational drug design.

Kuano is a start-up combining simulation and AI to design better drugs and unlock currently “undruggable” targets. Kuano is building a computational platform to automate and extend the application of a successful approach known as Transition State Drug design with the potential to deliver diverse, high quality drug candidates earlier in the drug design process. The successful applicant will focus on integrating innovative machine learning models developed by the Cole group with the Kuano platform, replacing expensive quantum simulations. The role will interface with multidisciplinary teams from both partners, ranging from medicinal chemists to computer scientists.

Candidates will be educated to PhD Degree level in computational chemistry or related discipline, a skilled scientific communicator with programming skills and experience using modern software development tools and best practices.

Benefits:

Develop managerial skills and attend two residential managerial workshops (each of one week duration)
£3,000 individual training budget
The opportunity to undertake a Higher Degree
The opportunity to lead a project, develop project management skills and improve long term career prospects
Mentoring by a Knowledge Transfer Network Adviser
Full access to university resources to complete the project
Access to a full range of continuing professional development modules within the University
Improving Associate profile and long-term career prospects

The KTP Associate will be an employee of Newcastle University, mainly working from home with monthly in person meetings at the company partner offices in London and Cambridge and as required at Newcastle University. The Associate although working remotely will be team working and integrated within Kuano’s systems and will be supported with regular supervision from both Kuano and the university. Although the contract is fixed-term for a duration of 18 months, more than 70% of KTP staff are made a permanent job offer by their KTP company.

Kuano AI provides innovative quantum and AI solutions for drug discovery and design. Their approach is to combine state-of-the-art simulation and AI to add quantum detail to structure based drug discovery. Their unique fusion of drug hunting and technology expertise allows us to illuminate new areas of chemical space enabling the design of next generation medicines. https://www.kuano.ai/

For more information or informal enquiries, please contact Daniel Cole daniel.cole@ncl.ac.uk or Josh Horton josh.horton@ncl.ac.uk

For further information on the School of Natural and Environmental Sciences visit the web page here.

As part of our commitment to career development for research staff, the University has developed 3 levels of research role profiles. These profiles set out firstly the generic competences and responsibilities expected of role holders at each level and secondly the general qualifications and experiences needed for entry at a particular level.

Key Accountabilities

On boarding to the project including analysis of the business, creation of a project data repository to house all documentation, training literature, operating procedures, marketing assets etc
Develop, test, investigate and report results of new methodologies
Identify best solution and transfer and embed the established methods within the company via presentations and workshops
Disseminate and embed the knowledge within Kuano throughout the KTP via reports, presentations, group discussions, staff training
Present findings to stakeholders and prepare full documentation
Prepare recommendations report and executive summary
Disseminate research via scientific publications and conferences

The Person (Essential)

Knowledge, Skills and Experience

Ability to conduct novel research in machine learning as applied to chemical and physical systems.
Programming skills
Experience using modern software development tools and best practices (for example version control, continuous integration and deployment [CI/CD] frameworks, etc.).
Skilled scientific communicator

Desirable

Knowledge of Python programming language and machine learning frameworks
Experience of biomolecular simulation
Expertise in the application of major quantum simulation packages (for example Gaussian, Orca, NWChem, Psi4, etc.)
Experience of using high performance computing clusters
Experience of project management in a research setting

Attributes and Behaviour

Strong interpersonal skills with the ability to communicate at all levels to different stakeholder groups both in person and in writing
The ability to work independently and collaboratively with colleagues
Willingness to engage, collaborate and find common ways to communicate with experts from a wide range of disciplines
Personal motivation and drive
Excellent organisational and planning skills
Ability to work to tight deadlines

Project description

Focus on integrating innovative machine learning models developed by the Cole group with the Kuano platform, replacing expensive quantum simulations. The role will interface with multidisciplinary teams from both partners, ranging from medicinal chemists to computer scientists.

About the business

Kuano AI provides innovative quantum and AI solutions for drug discovery and design. Their approach is to combine state-of-the-art simulation and AI to add quantum detail to structure based drug discovery. Their unique fusion of drug hunting and technology expertise allows us to illuminate new areas of chemical space enabling the design of next generation medicines. https://www.kuano.ai/

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