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Computational Chemist

Job Overview

Location

London

Job Type

Full-time

Category

Other Engineering

Date Posted

May 21, 2026

Full Job Description

đź“‹ Description

  • • As a Computational Chemist – Pre-Programs at Aqemia SAS, you will own the end-to-end execution and monitoring of QEMI virtual screening and hit expansion campaigns, from structure selection and target preparation to active hit selection, playing a critical role in scaling the speed and reliability of AI-driven drug discovery workflows.
  • • Day to day, you will execute and monitor screening campaigns, apply scientific judgment to ensure high-quality and reproducible results, troubleshoot operational issues, and analyze why runs succeed or fail to provide actionable feedback to platform and product teams.
  • • You will join a pioneering team at Aqemia SAS, a company building next-generation AI-driven drug discovery platforms, where your work directly enables pre-programs to progress with greater autonomy, consistency, and throughput by removing bottlenecks tied to build-team capacity.
  • • In this role, you will develop expertise in scaling computational screening workflows, gain deep insight into hit identification processes, and contribute to standardizing resilient, scalable screening operations that accelerate the discovery of high-quality hits across multiple programs within 12 months.

🎯 Requirements

  • • Scientific judgment in computational chemistry and virtual screening
  • • Hands-on problem solving and operational ownership of screening campaigns
  • • Ability to analyze screening outcomes and translate learnings into actionable feedback
  • • Experience with structure selection, target preparation, and hit expansion campaigns
  • • Strong focus on reproducibility, quality, and throughput in computational workflows
  • • Collaboration skills to work effectively with platform and product teams

🏖️ Benefits

  • • Opportunity to scale AI-driven drug discovery workflows in a cutting-edge environment
  • • Ownership of end-to-end screening campaigns with direct impact on drug discovery timelines
  • • Role in standardizing and improving platform reliability and reproducibility
  • • Exposure to interdisciplinary collaboration between computational, platform, and product teams
  • • Chance to contribute to accelerating hit identification across multiple discovery programs
  • • Work in a mission-driven company focused on innovative therapeutics

Skills & Technologies

Onsite

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About Aqemia SAS

Aqemia is a Paris-based drug-discovery company founded in 2019 that combines deep physics algorithms with generative AI to predict the potency and safety of drug candidates. Its platform screens billions of small molecules in silico, prioritizing candidates for synthesis and experimental validation. The company partners with pharmaceutical firms and biotechs to accelerate hit-to-lead and lead-optimization programs across oncology, immunology, and neurology. Aqemia’s pipeline includes internal assets and collaboration projects, aiming to shorten development timelines and reduce early-stage R&D costs while maintaining high success rates in identifying novel therapeutic candidates.

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