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Drug Hunter - Computational Chemist

ABG-100687 Job Junior
2021-10-20 Permanent Salaire à négocier
Paris - Ile-de-France - France
  • Biochemistry
  • Biology
Computational Chemistry, Drug Discovery, Docking, Screening, CADD, AI
Research and Development


Aqemia is an in silico drug discovery start-up with a primary focus: uncover a
massive number of groundbreaking therapeutic molecules both quickly and
efficiently. Aqemia relies on generative AI to invent relevant compounds through
unique, Statistical Mechanics algorithms that predict the drug's affinity to its
target on physical grounds, amongst other properties.

Aqemia is a spin-off of the renowned French school École normale supérieure,
based in Paris, which uses unique algorithms stemming from 8 years of research
at the ENS, Oxford and Cambridge combined. The team behind Aqemia includes
20 top-notch experts working at the crossroads of AI, statistical mechanics, and
medicinal chemistry. We've teamed up with a few hand-picked Pharmas and
Biotechs and we're expanding our portfolio in order to include proprietary drug
discovery projects.

Position and assignments

We are seeking a talented and driven Computational Chemist, aka Drug Hunter, to work alongside our core team and make an impact on a critical challenge: identifying drug candidates to cure major diseases.

The successful candidate will demonstrate a high level of technical and chemistry skills and be results-driven. This role calls for a strong sense of ownership and a drive to source new drug candidates.

The selected candidate will have keen interest in interdisciplinarity and will be quick on the uptake when faced with new concepts/frameworks.

As a Drug Hunter, you will be part of an interdisciplinary team made up of medicinal chemists, physicists and machine learning engineers. You will leverage our drug discovery pipeline and work with the team to come up with tailored approaches for each project to produce new drug candidates.

As a Drug Hunter you will:

-Identify active molecules of interest using drug-target affinity and property prediction pipeline

- Suggest and brainstorm relevant molecules with the Aqemia Project Team and with clients, looking to enhance multiple properties, from affinity to DMPK profile

- Work hand-in-hand with the ML team to leverage groundbreaking, disruptive algorithms in your drug discovery projects, and offer your drug hunter perspective and ideas as input to the development of tools

- Deepen your knowledge in structural biology on specific projects and targets

Geographic mobility:


Starting date



You are a Computational Chemist, Drug Designer, a Cheminformatician, a Structural Bioinformatician, or a Computational Biologist. 

Hands-on experience in computational chemistry applied to drug discovery using state-of-the-art structure-based or ligand-based methods, including virtual screening, molecular docking, structure-activity relationship analysis, multi-property optimization-based compound design. 

Extensive knowledge of protein structures, functions and protein-ligand interactions.

A background in medicinal or organic chemistry is a plus.


- You are a problem solver driven by global issues

- You believe drug discovery is more meaningful than boosting click-through rates

- You have an inquiring mind, you are proactive and eager to learn

- You have a desire to grow, both professionally and personally, and you want to help others grow with you

- You have the ability to thrive in a fast-paced environment mixed with the enthusiasm and willingness to be a team player

- You feel strongly that silico/AI can have major impact when it comes to identifying new drugs

- You are eager to play an active role in a growing team and make your mark on drug discovery  

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