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Scientist – Computational Chemistry (AI Drug Discovery)

Ireland

Job Type

Full-time

Salary

€65,000-110,000

About the Role

Scientist – Computational Chemistry (AI Drug Discovery)

Cranmore is partnering with an innovative, venture-backed biotech platform at the forefront of AI-driven drug discovery. We’re looking for a talented Computational Chemistry Scientist to join a highly collaborative, multidisciplinary team working on next-generation small molecule therapeutics.

The Opportunity
This role sits at the intersection of chemistry, biology, physics, and data science, leveraging machine learning to accelerate drug discovery. You’ll work closely with experts across computational science and R&D to develop cutting-edge solutions with real clinical impact.

What You’ll Be Doing

Designing and applying machine learning models to biological and chemical datasets

Building and improving structure-based drug discovery workflows

Supporting hit identification and lead optimisation

Collaborating with cross-functional scientific teams to solve complex challenges

Contributing to broader R&D initiatives and scientific communication

What We’re Looking For

PhD (or equivalent experience) in computational/theoretical chemistry, structural biology, or related field

Strong experience in molecular docking, virtual screening, and molecular dynamics simulations

Programming skills (Python essential; R/Julia beneficial)

Experience with Linux/UNIX and high-performance computing (cloud exposure a plus)

A collaborative mindset with strong communication skills

Why Join?

Work on cutting-edge AI applications in drug discovery

Collaborate with leading scientists and industry experts

See the direct impact of your work on therapeutic development

Be part of a fast-growing, globally connected biotech environment



#ComputationalChemistry #DrugDiscovery #MachineLearning #BiotechJobs #AIinHealthcare

Requirements

What We’re Looking For

  • PhD (or equivalent experience) in computational/theoretical chemistry, structural biology, or related field

  • Strong experience in molecular docking, virtual screening, and molecular dynamics simulations

  • Programming skills (Python essential; R/Julia beneficial)

  • Experience with Linux/UNIX and high-performance computing (cloud exposure a plus)

  • A collaborative mindset with strong communication skills

About the Company

Cranmore is partnering with an innovative, venture-backed biotech platform at the forefront of AI-driven drug discovery. We’re looking for a talented Computational Chemistry Scientist to join a highly collaborative, multidisciplinary team working on next-generation small molecule therapeutics.

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