Computational Chemist (AI Drug Discovery)

Location: Hybrid in London or Paris, with up to two remote days per week. Visa sponsorship is currently available only for roles based in Paris.

Company

hirify.global is a drug invention company developing new medicines through QEMI, a proprietary platform combining physics-based modeling, statistical mechanics, and generative AI.

What you will do

• Own the end-to-end execution and monitoring of QEMI virtual screening and hit expansion campaigns across active pre-programs.
• Select and prepare protein structures based on target biology, binding-site context, and program objectives.
• Run screenability assessments, configure workflows, and coordinate execution with compute and engineering teams.
• Apply compound filtering and selection workflows while maintaining registration, traceability, and screenability standards.
• Retrospectively assess screening campaigns, troubleshoot underperforming runs, and identify improvements to hit quality and workflow reliability.
• Partner with engineering and platform teams to standardize, document, and progressively automate screening workflows.

Requirements

• Strong background in computational chemistry, cheminformatics, or computer-aided drug design.
• Experience with structure-based virtual screening, docking, scoring, and hit triage.
• Ability to assess protein structure quality and make scientific decisions on structure selection and screening strategy.
• Strong working knowledge of Python and scientific scripting, including pipeline troubleshooting and modification.
• Comfort working in Linux environments with command-line tools, configuration files, and automated workflows.
• At least 6 years of relevant experience in computational chemistry or related scientific fields; familiarity with SMILES and RDKit is required.

Nice to have

• Experience with early discovery or preclinical drug discovery programs in biotech or pharma.
• Familiarity with protein folding and structure prediction workflows.
• Understanding of medicinal chemistry concepts including drug-likeness, developability, and ADMET.
• Experience scaling or standardizing scientific workflows across multiple programs.

Culture & Benefits

• Work on AI-driven drug discovery programs targeting areas including oncology, CNS, and immuno-inflammation.
• Collaborate with interdisciplinary teams across AI, physics-based modeling, biology, and medicinal chemistry.
• Flexible hybrid arrangements with up to two remote days per week.
• Work in offices located in central Paris and London at King’s Cross.
• Join a company backed by leading European and international investors.