About Iktos

Iktos is an applied artificial intelligence start-up that helps chemistry researchers improve their molecular discovery, drug design process and synthetic planning in early phases of the pharmaceutical drug discovery phase. This goes through directly providing software to chemists or setting collaboration projects with pharmaceutical companies or biotech companies to perform in-house drug discovery work.

Our technologies leverage many advances in machine and deep learning to generate novel molecules that satisfy the end user’s criteria in a fraction of time and effort, including being sure that novel molecules can be synthesised. Data-driven retrosynthetic analysis is then another key area of research for Iktos and our technology empowers organic chemists with exhaustive analyses in minutes. (If you’re curious about it, go have a look at our open access retrosynthetic planning tool Spaya !)

To support Iktos’ fast-growing team and keep pace with our high number of cutting-edge projects, we are recruiting an Application Scientist Asia. If you wish to join a young team, experience the start-up mindset, while working on exciting projects, reach out to us!


As a a senior data scientist at Iktos, you will have the opportunity to participate in our research projects to contribute to the democratisation of AI in drug discovery. You will work on improving both the generative and predictive technologies embedded in our products. You will extend state-of-the-art methods from the literature, related among others to deep generative models, latent representation learning, few shot learning, graph neural network. You will have the possibility to publish and present your work in conferences. Moreover, you will be exposed to real-life scenarios while working directly on customer data from all around the world and you will push your work to production in Iktos products Makya and Spaya – used already by thousand of users ! You will join a young team of 10 top-notch AI scientists with an innovative mindset located in Paris and at ease with flexible remote work.

Among our current challenges, you might work on the following topics:

  • Automated Machine Learning
  • Representation Learning
  • Few shot learning
  • Active Learning
  • Models Interpretability
  • Generative Models optimisation
  • Off policy reinforcement learning
  • Retrosynthetic planning


We are looking for an experienced senior ML/Data Scientist with a computer science/software engineering or a probability/statistics/data science background to strengthen our AI team. Our ideal candidate should have the following skillset:

  • Academic background with MSc in statistics, computer science, applied mathematics or related fields
  • 3+ years of professional experience as a ML/DL engineer, or pHD in related fields
  • Advanced level in Python language using a deep learning framework (tensorflow, pytorch …)
  • Comfortable reading and reproducing state-of-the-art methods from the scientific literature
  • Comfortable with git versioning system
  • Perfectly at ease with communication/explanation of your work and results (both in French and in English)
  • Past publications in scientific conferences or journals is a plus
  • Knowledge in reinforcement learning is a plus
  • Understanding of basic concepts in chemistry is a plus
  • Knowledge in python packaging (CI, testing, …) is a plus


Please send your resume and availability for a first phone discussion by email.