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Machine Learning Engineer for Molecular Design and Optimization

Aitenea Biotech is a biotechnology company that emerged as a spin-off from CSIC (Spanish National Research Council). Our team is a diverse group of highly experienced professionals in the field of research and development, passionate about pushing the boundaries of innovation
in the intersection of the fields of artificial intelligence, chemistry and biotechnology. At Aitenea, we are committed to harnessing the power of artificial intelligence to revolutionize the design and development of chemical compounds across various domains.

We combine our expertise in machine and deep learning algorithms with the latest organic synthesis techniques to engage in a virtuous feedback loop, enabling us to accelerate innovation and push the limits of what’s possible in molecular design.

We believe that by integrating cutting-edge machine/deep learning techniques into the molecular design process, we can create effective and sustainable products that will shape the future.

What are we looking for?
We are seeking a talented individual with a Ph.D. in Mathematics, Computer Science, Physics, or a related field. If you’re eager to contribute to research-intensive projects and have a strong interest in developing innovative solutions, we want to hear from you.

Your role:

Your mission will involve leveraging machine learning methods, including probabilistic methods and deep learning, to unlock the potential of molecular design in, usually, low-data regimes.
Your work will have far-reaching applications in the realms of chemical and drug discovery and material development.

We value:
● Strong background in Statistics and Machine Learning
● Demonstrate proficiency in Python and/or R programming
● Expertise with Deep Learning frameworks such as Pytorch or Tensorflow
● Ability to stay up-to-date with the latest research trends and emerging technologies
● Strong analytical skills and a passion for tackling complex, real-world challenges
● Eagerness to work in an interdisciplinary team, contributing and learning from peers

Good to have:
These are some of the technologies we use regularly. Don’t worry if you’re unfamiliar with some of them— lack of experience is not a barrier to applying. You’ll have opportunities to learn and work with these tools as part of the role.


● Some familiarity with basic chemistry and chemoinformatics tools. We use libraries such as RDKit and OpenBabel. Do not worry about not being an expert in these fields, we will provide you with comprehensive training to master these tools
● Some familiarity with cloud computing and AWS
● Exposure to Docker for creating and deploying containerized applications
● Basic understanding of backend technologies, REST APIs, and the FastAPI framework
● Familiarity with SQL and data management for efficient querying and analysis
● Experience with version control with Git for collaborative development and code management

What can we offer you in return?
● An engaging and dynamic work environment, where innovation and high performance are celebrated
● The opportunity to closely collaborate with our management team, learning from their expertise and contributing to groundbreaking projects
● Flexible working hours that empower you to achieve a healthy work-life balance, with the added benefit of remote work options

Interested candidates should send their CV to nuria.campillo@aitenea.es

How to apply

AItenea Biotech

AItenea Biotech

Interested in joining our team? Send us your resume and a brief message outlining your skills and experience. We’re always looking for passionate and talented individuals to grow with us. Reach out and let’s explore how you can become part of our company!
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