Senior Computational Drug Hunter

About AQEMIA

AQEMIA is a next-gen pharmatech company advancing one of the world's fastest-growing drug discovery pipelines. Our mission is to design breakthrough drug candidates faster and smarter for critical diseases—such as immuno-oncology—by fusing quantum-inspired physics algorithms with generative AI , without relying on experimental training data.We ’ve already achieved multiple preclinical milestones both internally and in collaboration with top pharmaceutical partners. Our leading programs are now in in vivo optimization stages. With strong financial backing and rapid pipeline growth, we’re scaling our scientific teams to double the number of active programs.

Your Role as Senior Computational Drug Hunter 

As a Senior Computational Chemist, you will play a strategic and hands-on role across multiple drug discovery projects—from hit generation to preclinical candidate nomination.

You will:

• Design, evaluate, and prioritize molecules for synthesis using AQEMIA’s proprietary physics-based and AI-powered technologies.

• Drive the computational design strategy and ensure it remains grounded in mechanistic hypotheses, predictive models, and SAR data .

• Collaborate with cross-functional teams , including medicinal chemistry, biosciences, and AI/ML specialists, to ensure tight integration of computational insights across projects.

You will operate within a dynamic and adaptive project model. Most teams include a Program Lead, a Medicinal Chemist, two Computational Chemists (each 50% allocated), and support from Biology as needed. As we grow, team structures evolve to match each program’s unique scientific challenges.

Your Key Responsibilities

Scientific & Strategic Impact

• Act as a computational chemistry lead on multidisciplinary programs, guiding efforts from hit expansion through lead optimization.

• Shape program direction through binding mode hypotheses, SAR analysis, predictive modeling , and data-driven prioritization.

• Contribute to portfolio-wide strategic decisions by identifying opportunities where AQEMIA’s technologies can deliver disproportionate impact.

• Champion the integration of physics-based simulations, free energy methods , and machine learning models into project workflows.

Platform & Cross-Functional Collaboration

• Provide structured feedback to internal platform and AI/physics teams to accelerate tool development aligned with real-world discovery needs.

• Collaborate with leadership to prioritize high-value scientific opportunities across the pipeline.

• Help define best practices and shape AQEMIA’s computational chemistry strategy across therapeutic areas.

• Promote a culture of scientific rigor, learning, and cross-functional mentorship through reviews and ideation sessions.

What We’re Looking For

Required Background & Expertise

• PhD or equivalent experience in Computational Chemistry, Biophysics, Cheminformatics, or a related field.

• 5–10 years of experience in drug discovery, including at least 5 years in the drug discovery industryProven track record in small molecule structure-based and ligand-based design, SAR interpretation, and hypothesis generation.

• Proficiency in programming (Python preferred) and use of modern open-source cheminformatics and modeling tools.

• Solid understanding of physics-based methods, including molecular dynamics and free energy calculations.

• Familiarity with medicinal chemistry principles and ability to communicate fluently across disciplines.

Mindset & Values

• Passionate about contributing to a mission-driven biotech company changing how drugs are discovered.

• Curious, data-driven, and intellectually rigorous.

• Comfortable making strategic decisions in high-uncertainty contexts.

• Enthusiastic about sharing knowledge, and contributing to a learning organization.

• Adaptable, organized, and effective in a fast-paced, evolving environment.

Why Join Us?

At AQEMIA, we work for a mission: joining us means having your own impact on changing the way drugs are discovered, and helping to shape the direction of our fast-growing company and team.

Expanding Drug Discovery Pipeline : Focused on critical therapeutic areas like Oncology, CNS, Immuno-inflammation - with in vivo proof of concept/patent stage programs. Collaborations with top Pharma, including a $140M Sanofi deal.

Elite Collaborations : Partnered with major pharmas, including a $140M+ collaboration with Sanofi .

Tech + Bio Excellence : Be part of an interdisciplinary team combining the best of physics, AI, chemistry, and biology .

Strong Growth & Support : Backed by over $100M in funding , and named a French Tech 120 company.

Great Locations : Offices in central Paris and London (King’s Cross), with 2 remote days/week .

Relocation & Integration : International environment with relocation support and French lessons offered (if needed).

Our recruitment process

• Screening with TA - 30mn

• First interview with the hiring manager - 45mn

• Technical case with team members - 1h30 

• Cultural fit interview with Emmanuelle Martiano, co founder and COO - 45mn

• Final interview with Maximilien Levesque, CEO - 1h