gtag('config', 'AW-10935689431');

Iktos is looking for an experienced and highly motivated python developer with a background in computational chemistry, to join our Engineering team. You’ll play a key role in writing and maintaining computational chemistry workflows in collaboration with the R&D team. You will work closely with other python developers to facilitate the transition from R&D to production.

About Iktos

Iktos is a start-up company specializing in AI for chemistry. We are developing a proprietary, disruptive artificial intelligence technology for de novo drug design and for data-driven retrosynthesis. The world’s largest pharmaceutical companies (Servier, Merck Group, Janssen, etc.) are using Iktos technology, services and softwares to accelerate their research for new molecules. Iktos is growing fast! In just 5 years, the team has grown from 5 to 50 engineers and researchers, and Iktos is among the 20 “most-promising companies using artificial intelligence to improve drug discovery” according to ACS.

Iktos is based in Paris, in a large Haussmannian flat right next to the Parc Monceau, where computational and medicinal chemists, data scientists, AI engineers and software developers work together to build unique and innovative applications that are transforming the face of drug design.

Key Responsibilities

  • Play a key role in maintaining and expanding computational chemistry workflows for drug discovery, in collaboration with the R&D team

  • Deploy microservices and chemistry pipelines at scale

  • Contribute to the design and deployment of scalable RESTful web services

  • Facilitate the transition between R&D and production code


  • Masters or PhD degree with 3 years of experience in computational chemistry or pipeline development for R&D

  • Ideally, a computational chemist with a great interest in developing pipelines for drug design

Do you have the experience?

  • Experience with structure-based and ligand-based computational chemistry protocols, MD simulations, python chemical libraries (rdkit, openbabel, …)
  • Demonstrated development experience with a variety of programming languages, tools, and technologies (e.g.,  Python, C++, AWS…)
  • Experience in a cloud environment like AWS is a plus
  • Experience within a research-based scientific computing environment
  • Demonstrated problem solving abilities working in collaboration with multidisciplinary teams
  • Ability to handle multiple priorities simultaneously

    To apply for this position, please send your application (CV and cover letter) below: