Research Intern - Computational Chemistry and Structural Biology

About Aqemia

Aqemia is a next-gen pharmatech company generating one of the world's fastest-growing drug discovery pipeline. Our mission is to design fast innovative drug candidates for dozens of critical diseases. Our differentiation lies in our unique quantum and statistical mechanics algorithms fueling a generative artificial intelligence to design novel drug candidates.The disruptive speed and accuracy of our technological platform enables us to scale drug discovery projects just like tech projects. 

We are now a team of 30 mission-driven, fast-paced people at the crossroads of Chemistry, Machine Learning, Physics and SoftwareEngineering, and have raised $12M with leading VCs.

Research Intern - Computational Chemistry and Structural Biology

Job description

As a research intern, you will explore in depth a particular topic, all the way from literature review to testing your approach on proprietary data. We are willing to discuss the choice of the topic so that it best fits your expertise, but it could include : 

  • Structural Biology studies of key target proteins
  • Development of Docking strategies with state of the art technologies
  • Free Binding Energy calculations with Aqemia core technology
  • Representation learning on molecules : unsupervised or semi-supervised techniques to learn embeddings of molecules. 
  • Multi Constraint Optimization strategies to generate molecules that satisfy several criteria.
  • Development of interpretable predictors of molecular properties. 

Your profile

  • You are a Masters student in Computational Chemistry, Theoretical Chemistry or Structural Biology  
  • Ideally with hands-on experience in Computational Chemistry techniques and softwares (Docking, Molecular Dynamics, …)
  • Interest for protein-ligand interaction and Structural Biology. 
  • With experience in reading academic papers and exercising critical thinking on results.

Nice to have:

  • Basic knowledge in machine learning and drug discovery is a strong plus, but it is not required.

You should join us if…

  • You are passionate about solving difficult problems on topics that really matter
  • You are curious, willingful and dynamic
  • You like working collaboratively in an interdisciplinary, fast-paced environment
  • You want to join a small team to bring your own impact in drug discovery

To apply, send us your CV at