AQEMIA
Computational Chemist
Computational Chemist
Posted 3 weeks ago
LondonPermanentHybridFull-TimeSenior
Posted 3 weeks ago
Description
Responsibilities
Qualifications
Nice‑to‑Have
- Own the end-to-end execution and monitoring of QEMI virtual screening and hit expansion campaigns across all active pre-programs
- Select and prepare appropriate protein structures based on target biology, binding site context, and program objectives
- Run and interpret screenability assessments, configure workflows, and coordinate screening execution with compute and engineering teams
- Apply compound filtering and selection workflows, ensuring compounds meet registration, traceability, and screenability standards
- Active contributor to pre-programs prioritization strategy by doing retrospectives of the screens, and identifying areas of improvement
- Troubleshoot underperforming runs and identify structural, methodological, or operational improvements to increase hit quality and workflow reliability
- Partner with engineering and platform teams to standardize, document, and progressively automate the run process as the platform evolves
- Maintain robust operational documentation and backup processes to ensure continuity and resilience across team changes and scaling needs
Qualifications
- 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
Nice‑to‑Have
- Experience supporting early discovery or preclinical drug discovery programs in biotech or pharma
- Familiarity with protein folding methods and structure prediction workflows
- Understanding of medicinal chemistry concepts such as drug-likeness, developability, and ADMET
- Experience contributing operational insights into platform or product improvement roadmaps
- Prior experience scaling or standardising scientific workflows across multiple programs
AQEMIA
Advancing drug discovery through generative AI and deep physics to invent novel medicines at scale
ParisBiotechnology51 - 250
AQEMIA
Join a multidisciplinary team born from 12 years of quantum physics research, where your work directly advances a growing pipeline of novel drug candidates tackling major diseases through a proprietary physics-first platform