ML/AI Scientist – Computational Drug Discovery
Orion
full-time
Posted on:
Location Type: Office
Location: Espoo • Finland
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Tech Stack
About the role
- Exploring and implementing ML/AI methodologies for predictive modeling, virtual screening, and molecular property predictions.
- Evaluating and testing novel generative chemistry approaches for de novo molecule design.
- Developing, automating and implementing efficient and scalable workflows to integrate ML models into computational drug discovery pipelines.
- Enhancing cheminformatics tools to facilitate data-driven molecular optimization.
- Keeping up to date with advances in ML/AI for drug discovery and collaborating with computational experts to assess their industrial applicability.
- Working with heterogeneous biological and chemical datasets, ensuring efficient data processing pipelines.
- Supporting multiple ongoing projects by deploying and optimizing ML/AI-driven tools.
Requirements
- MSc or Ph.D. in machine learning, artificial intelligence, cheminformatics, computer science or computational chemistry.
- Track record of delivering ML solutions
- Deep technical expertise in modern ML/AI methods (predictive modeling, generative chemistry, graph neural networks, etc.).
- Strong skills in Python and relevant ML frameworks (e.g., PyTorch, TensorFlow, JAX, RDKit, RAPIDS, Scikit-learn).
- Experience in applying ML/AI methods to chemical and biological data (but deep chemistry or biology expertise is not required).
- A solid understanding of molecular representation techniques (e.g., molecular graphs, fingerprints, SMILES-based approaches).
- Ability to explore, evaluate, and adapt state-of-the-art ML methods from the literature.
- Strong collaboration and communication skills to work effectively within a multidisciplinary team.
- Fluent written and spoken English.
Benefits
- A collaborative and scientifically stimulating environment with top-tier professionals.
- Opportunities to shape the future of ML/AI-driven drug discovery within Orion.
- Access to cutting-edge technology, data science tools and compute.
- Competitive salary, generous health and welfare benefits, and support for international relocation.
Applicant Tracking System Keywords
Tip: use these terms in your resume and cover letter to boost ATS matches.
Hard Skills & Tools
machine learningartificial intelligencepredictive modelinggenerative chemistrygraph neural networksPythonPyTorchTensorFlowJAXRDKit
Soft Skills
collaborationcommunicationadaptabilityproblem-solving
Certifications
MScPh.D.