IRB Barcelona is seeking a talented and highly motivated Research Associate to join the Structural Bioinformatics and Network Biology group (https://sbnb.irbbarcelona.org), led by Dr. Patrick Aloy, to work on Generative Models to create Precision Drugs.

Biological data is accumulating at an unprecedented rate, escalating the role of data-driven methods in computational drug discovery. The urge to couple biological data to cutting-edge machine learning has spurred developments in data integration and knowledge representation, especially in the form of heterogeneous, multiplex and semantically-rich biological networks. Today, thanks to the propitious rise in knowledge embedding techniques, these large and complex biological networks can be converted to a vector format that suits the majority of machine learning implementations. Indeed, we have generated biological embeddings (i.e. bioactivity signatures) that capture complex relationships between small molecules and other biological entities such as targets or diseases (Duran-Frigola et al. 2020 Nat Biotechnol; Bertoni et al. 2021 Nat Commun; Fernández-Torras et al. 2022 Nature Commun, Comajuncosa-Creus et al. 2025 Nat Protocols). However, only a tiny fraction of the possible chemical space has been so far explored, meaning that most compounds able to modulate biological activities (i.e. drugs) are yet to be discovered. Accordingly, the main objective of this project is to couple our bioactivity signatures to inverse design algorithms to generate new chemical entities with a desired functionality. All in all, the incorporation of machine learning methods to the drug discovery process will trigger the development of thousands of novel compounds, finally enabling precision medicine.

DUTIES: 

The successful candidate shall be responsible for the implementation of generative AI models to create new small molecules that fulfill the required polypharmacological properties to mimick or revert molecular signatures.

EXPERIENCE, KNOWLEDGE, SKILLS

Must Have – Required: 

• Education: Bachelor in Biosciences, Chemistry, Pharmacy or Engineering degree in Computer

  Sciences. PhD in bioinformatics, chemoinformatics, machine learning or related areas.

• Experience: previous experience on the use of machine learning, genAI and data science

  techniques. Strong publications record according to his/her career stage.

• Skills:

  • Excellent programming and scripting skills, with deep knowledge of Python.

  • Excellent knowledge of genAI strategies (e.g. transformers, vAEs, diffusion models, etc).

  • Competent in the use of HPC queue systems, virtual machines (OpenNebula) and Grid Containers (Docker, Singularity).

  • Excellent interpersonal and communication skills. Highly motivated. Fluency in English.

Desirable:

• Experience: Previous experience working with biological data and in an international environment.
  

WORKING CONDITIONS & ENTITLEMENTS:

• To be a part a part of something meaningful: We are a biomedical research centre that tirelessly works to achieve a society free of diseases. Our mission is to carry out research of excellence to cure cancer and other diseases linked to ageing.

• Good Working conditions: Employed in compliance with Spanish legislation and regulations under a full-time contract. Employees receive the benefits of the Spanish Social Security system covering sickness, maternity/paternity leave and injuries at work.

• Competitive salary: commensurate with experience and qualifications.

• International Environment: Nearly 90 Postdoctoral researchers (more than a half non-Spanish nationals) are currently working at IRB Barcelona.

• Multidisciplinary Research: Research of excellence at the unique interface between biology, chemistry, and structural and computational biology.

• Training and Career: Postdoctoral researchers joining IRB Barcelona gain access to the Institute’s advanced research training and career development opportunities, all within in a competitive international environment. Courses and workshops on themes of particular interest to postdocs are offered regularly by the Institute.

• Relocation & Visa Assistance: Trained staff provides support on visa paperwork, administrative requirements, and practical information on living and working in Barcelona, etc.

• Social Life: We like to have fun. We promote several activities, like a Football League, an annual skiing trip, a Mountaineering Club, a Running Club and "Cool-off sessions", where members meet informally for drinks, snacks and scientific discussions.

• Fairness: Our recruitment is open, transparent and merit-based, and all applicants compete on the same terms. We are an Equal Opportunity Employer and all qualified applicants are considered for employment without regard to race, colour, religion, age, sex, sexual orientation, gender identity, nationality, ethnic origin or disability.
  

 HOW TO APPLY & SELECTION PROCESS:

• Deadline for applications: 15/01/2026

If no suitable candidate is found, the deadline will be extended.

• Number of positions available: 1

• Selection process

• Pre-selection: Will be based on CV, motivation letter and experience.

• Interviews: Short-listed candidates will be interviewed.

• Job offer: Will be sent to the successful candidate after the interview.

IRB BARCELONA endorses the Requirements and Principles of the European Charter for Researchers, the Code of Conduct for the Recruitment of Researchers, and Open, Transparent, Merit-based recruitment promoted by the European Commission and follows Equal Opportunities policies.

On 9 December, 2014, IRB Barcelona was awarded the "HR Excellence in Research" logo. This recognition reflects the commitment of the Institute to the continuous improvement of its human resources policies in line with the Charter & Code. The Institute works to ensure fair and transparent recruitment and appraisal procedures.

Please check our Recruitment Policy.

Note: The strengths and weaknesses of the applications will be provided upon request.