Computational Chemist

AQEMIA is building a new generation of AI-driven drug discovery workflows, and this role is critical to scaling the speed and reliability of our pre-program screening operations. As Computational Chemist – Pre-Programs, 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.

Requirements

• Strong background in computational chemistry, cheminformatics, or computer-aided drug design (CADD)
• Experience with structure-based virtual screening workflows, docking, scoring, and hit triage
• Ability to independently assess protein structure quality and make scientific decisions on structure selection and screening strategy
• Strong working knowledge of Python and scientific scripting workflows, including troubleshooting and modifying existing pipelines
• Comfortable working in Linux environments and with command-line tools, configuration files, and automated workflows
• Familiarity with chemical data handling and compound registration workflows, including SMILES and RDKit
• Minimum 6 years of relevant experience in computational chemistry or related scientific fields