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Jobs / Aqemia

Applied AI Research Scientist

Aqemia·Parismid

In short

  • →Científico de Investigación Aplicada en IA para descubrimiento de fármacos
  • →Desarrollas modelos de IA (GNN, generativos, físicos) y los usas en proyectos reales con químicos y biólogos
  • →Trabajas en un equipo multidisciplinario que inventa moléculas totalmente nuevas sin datos experimentales

Fluent English required for collaboration across global teams

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The questions they'll ask you

1. ¿Cómo diseñarías un modelo GNN para predecir interacciones proteína-ligando con salida de geometría?

2. ¿Qué desafíos ves al integrar modelos físicos con IA generativa en diseño de moléculas?

3. ¿Cómo evaluarías el impacto de un modelo de priorización en un proyecto de descubrimiento real?

🔒 +7 more questions

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💵 USD · Remote · No visa

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What they ask for

  • ✓MSc o PhD en IA, ciencias computacionales, física o disciplina relevante
  • ✓Experiencia con redes neuronales gráficas (GNN) y modelos generativos
  • ✓Conocimiento práctico de simulaciones moleculares o cálculos de química computacional
  • ✓Capacidad para traducir modelos de IA en decisiones reales de descubrimiento de fármacos
  • ✓Habilidades de colaboración con científicos de otras áreas (químicos, biólogos)
  • ✓Experiencia en la gestión de ciclos de ML desde el diseño hasta la implementación

Don't tick every box? That's normal — your free dossier shows your gaps and how to cover them in the interview.

GNNGenerative AIPhysics-informed AIMolecular simulationsStatistical mechanicsCADDPythonPyTorchML pipelinesRocket Launcher

Who should you write to at Aqemia?

Your free dossier identifies the people who'd interview you — their background, what they value, and how to reach out so you stand out before applying.

About AQEMIA AQEMIA is a drug invention company dedicated to creating entirely new medicines to address major unmet medical needs. At the core of our mission is QEMI , our proprietary molecule-invention platform, which uniquely combines cutting-edge science with advanced technology. Powered by physics-based modeling, statistical mechanics, and generative AI, QEMI allows our teams to design novel drug candidates from first principles. What makes AQEMIA different is our commitment to true innovation: our research is dedicated to the invention of new molecular entities, not the refinement of existing ones. We focus on inventing never-before-seen molecules , without relying on experimental data, and advancing them into a growing pipeline of proprietary programs and strategic partnerships with leading pharmaceutical companies. Our most advanced preclinical programs are currently in vivo optimization , targeting diseases still waiting for effective treatments, offering our teams the opportunity to work on science that can make a real difference in people’s lives. com, our WTTJ Page , and our LinkedIn . About our Team AQEMIA brings together a diverse, multidisciplinary team of 80+ professionals based in Paris and London. Our scientists and engineers, including chemists, physicists, machine learning experts, and software engineers, work side by side to push the boundaries of early-stage drug discovery. This close collaboration across disciplines is central to our approach, enabling us to tackle complex scientific challenges from first principles and translate cutting-edge ideas into novel therapeutic candidates. At AQEMIA, team members are encouraged to contribute their expertise, learn from one another, and play an active role in shaping the future of drug invention. About our Platform Department The Platform team (~20 people) brings together multidisciplinary teams working on the scientific core of Aqemia’s drug discovery engine. Its mission is to build scalable and reproducible workflows enabling multiple drug discovery programs to run in parallel with minimal manual intervention. The team combines expertise across Artificial Intelligence and Machine Learning (both research and applications), data science, statistical physics and molecular simulations, computational chemistry (CADD), and other scientific disciplines. Together, they develop predictive models, physics-based simulations, and robust scientific pipelines that power AQEMIA's discovery platform. At the center of this ecosystem is the “Rocket Launcher” process: an industrialized workflow continuously launching, testing, and improving drug discovery projects through iterative scientific feedback loops. The role We are looking for an Applied AI Research Scientist to join Aqemia’s Drug Discovery Platform, working at the intersection of ML and molecular science. , GNNs, generative models, physics-informed AI) to predict molecular properties and protein-ligand interactions. 50% Applied AI: Build ML models that drive real decisions in our internal and partnered drug discovery programs, working hand in hand with chemists, biologists and project leads. Responsibilities AI Research & Development (50%) Design and implement novel Deep Learning algorithms (GNNs, generative, physics-based models). Take part in cutting-edge research and bibliographic exploration Collaborate with research and drug discovery teams to translate models into actionable insights. Applied ML for Discovery Programs (50%) Develop robust ML models (regression, ranking) from molecular and biological data. Collaborate with chemists and biologists; deliver results that drive compound prioritization. Own ML workstreams from start to finish: goals, timelines and stakeholder communication. Deliver models and predictions that scientists can use in their everyday workflows. Qualifications MSc or PhD in

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