AI Scientist for Drug Discovery & LLMs

Selvita; Kraków; On-site; PLN 180,000 - 300,000; Full time

Benefits offered by this job

Private medical care

Lunch card

Sport card

Office fruit provision

PhD incentive/recognition program

Soft skills training

Job summary

Selvita is seeking a talented AI Scientist / Machine Learning Engineer to join our growing multidisciplinary AI Team. You will work with state-of-the-art deep learning technologies alongside highly qualified specialists in drug discovery.

You will contribute to shaping Selvita’s internal AI strategy and help transform operational workflows using Large Language Models, RAG pipelines, and AI-driven chemistry insights.

Qualifications

• Master’s or PhD in ML, statistics, computer science, cheminformatics, bioinformatics, computational chemistry, physics or related field.
• Strong knowledge of modern ML/AI methods.
• 3+ years hands-on ML experience with focus on LLMs.
• Advanced Python programming with DL frameworks and GPU acceleration.
• Experience in Linux/Unix environments.
• Proven GitLab experience and containerization tools.
• Fluent professional and scientific English.

Responsibilities

• Design and implement LLM-based solutions, including RAG pipelines, to automate internal workflows and extract insights from preclinical data.
• Apply AI-driven approaches to chemical space exploration.
• Develop models for chemical reaction prediction and retrosynthesis.
• Use generative methods to support drug design and optimization.
• Collaborate with teams across Selvita to identify AI opportunities in workflows.

Skills

Machine Learning

LLMs

Python (DL)

GPU acceleration

Linux/Unix

GitLab

Containerization

English fluency

Education

Master’s or PhD in ML/CS/related

Tools

KNIME

R Shiny

Job description

Selvita is seeking a talented AI Scientist / Machine Learning Engineer to join our growing multidisciplinary AI Team. You will work with state-of-the-art deep learning technologies alongside highly qualified specialists in drug discovery.

You will contribute to shaping Selvita’s internal AI strategy and help transform operational workflows using Large Language Models, RAG pipelines, and AI-driven chemistry insights.