AI Scientist (Drug Discovery)

We offer a choice of employment form:

• Employment Contract: 17,000 – 20,000 PLN gross/month
• B2B: 140 – 170 PLN net/hour + VAT

We are seeking an AI Scientist /Graph ML Engineer (Drug Discovery) with strong expertise in Graph Neural Networks (GNNs), structural biology, and computational drug discovery. Your work will directly accelerate drug discovery, target identification, and biomarker discovery, bridging the latest advances in AI with real-world biomedical challenges. You will develop innovative graph-based molecular representation learning models, enhance AlphaFold-like architectures for binding site prediction, and work on protein and peptide structure modeling. This is a unique opportunity to make a tangible impact in an emerging field where cutting-edge AI meets the future of medicine.

What You’ll Do:

• Design and develop GNN models (PyTorch Geometric, DGL) for protein, peptide, and small molecule structure analysis.
• Improve AlphaFold and other geometric deep learning models for binding site prediction.
• Build and deploy generative models for de novo molecular design (RL, VAE).
• Tackle biological data challenges: graph classification, link prediction, inductive learning, bias correction, and handling imbalanced datasets.
• Collaborate closely with an interdisciplinary R&D team (AI, biology, chemistry).

You might be the perfect match if you are/have:

Technical requirements:

• Strong expertise in Graph Neural Networks (PyG, DGL).
• Hands-on experience with AlphaFold or other geometric deep learning models.
• Practical experience in protein/peptide structure modeling or molecular representation learning.
• Proficiency in Python and TensorFlow or PyTorch.

Experience:

• Projects involving de novo molecular design (generative models, optimizing for binding affinity, synthesizability).
• Work with biological data (link prediction, graph classification, bias correction).
• Experience collaborating in interdisciplinary teams.
• PhD in Computer Science, Machine Learning, Data Science, Applied Mathematics, Bioinformatics, or a related field.

Soft skills:

• Excellent English communication skills, both written and spoken.
• Strong problem-solving skills.
• Ability to work effectively in a team.

Moreover, we appreciate skills in these areas:

• Experience with generative AI for molecule and peptide design.
• Practice with multi-modal learning and heterogeneous graphs.
• OMICs data integration for drug discovery.
• Work with knowledge graphs in pharma (e.g., disease-gene, drug-target prediction).

Why Join Us?

• Work on projects implementing the latest scientific breakthroughs.
• Make a real impact on the future of medicine and drug discovery.
• Grow your career in a rapidly expanding field at the intersection of AI and biotechnology.
• It's long-term cooperation for years!
• Fully remote work or in our offices in Wrocław, Warsaw, or Cracow.
• Very flexible working hours.
• High-quality work equipment (laptop + 2 additional monitors and accessories).
• Benefits package: Luxmed, Multisport, life insurance, personal training budget, Passion Day (an extra day off for your hobby), attractive referral system, team events, and company trips.

Holisticon Connect is a division within NEXER GROUP – a custom software development company. We started in Poland in 2017 and are now a team of over 150 people with offices in Wrocław, Warsaw, and Cracow. We have the opportunity to work with world-renowned brands from Scandinavia, the UK, and Western Europe. Our goal is to grow stronger, in competence rather than in numbers. If you like what we do, check out our offer – maybe we will have the pleasure of meeting you! 😊

If you apply for this position and match our expectations, then:

1. You will be invited to an HR Screening with our IT Recruiter.
2. You will have a technical interview.
3. You will meet with a client.

Submit your application online in one easy step! Apply now.