Computational Scientist - Digital R&D BioAIM Data Science
Role details
Job location
Tech stack
Job description
- Develop, improve and deploy on our internal platform artificial intelligence and machine learning (AI/ML) approaches (e.g. classification, clustering, deep learning, foundation models, diffusion models, flow matching etc) on pharma research data sets (e.g. activity, function, ADME properties, physico-chemical properties, etc.)
- Building models from internal and external data sources, algorithms, simulations, and performance evaluation by writing clean code and using state-of-the art machine learning technologies
- Collaborate on developing intuitive user interfaces for AI tools, ensuring that complex ML/AI capabilities are accessible to scientists through interactive visualizations, and seamless user experiences that accelerate adoption across research teams
- Develop and deploy Agentic AI systems. This includes building agent architectures with tool integration, and orchestrating multi-agent workflows to automate complex scientific processes
- Close interactions with other Computational scientists, data engineers, software engineers, UX designers, as well as research scientists in core scientific platforms focusing on protein therapeutics, in an international context
- Update and report relevant results to interdisciplinary project teams and stakeholders
- Maintain a keen awareness of recent developments in data science and bioinformatics and state-of-the-art of AI/ML/DL algorithms and research results
- Contributor to our code repositories by developing code, reviewing colleagues' code, debugging our systems etc
Requirements
You are an expert Computational Scientists with strong engineering skillsets who will work with other scientists and engineers to develop and deploy cutting-edge computation, Machine Learning/Deep Learning, and data engineering approaches to revolutionize our computational drug discovery tools by contributing to accelerating and improving the process of design and engineering of novel drugs., * Advanced degree (e.g. M.Sc., PhD) in a field related to AI/ML or Data Analytics such as Computer Science, Mathematics, Statistics, Physics, Biophysics, Computational Biology or Engineering Sciences
- 3+ years of industry experience with a track record of developing, deploying and applying ML/Deep Learning (DL) approaches to solve molecule-related problems
- Strong familiarity with advanced statistics, ML/DL techniques including various network architectures (CNNs, GANs, RNNs, Auto-Encoders, Transformers, LLM, PLM etc.), regularization, embeddings, loss-functions, optimization strategies, or reinforcement learning techniques
- Proficiency in Python and deep learning libraries such as PyTorch, TensorFlow, Keras, Scikit-learn, Numpy, Matplotlib
- Strong familiarity with data visualization and dimensionality reduction algorithms
- Familiarity with molecular structure or sequence featurization/embeddings
- Ability to develop, benchmark and apply predictive algorithms to generate hypotheses
- Comfortable working in cloud and high-performance computational environments (e.g. AWS)
- Excellent written and verbal communication, strong tropism for teamwork
- Strong understanding of pharma R&D process is a plus
- A change agent with a combination of business, science & technology, and diplomatic skills
Benefits & conditions
- Bring the miracles of science to life alongside a supportive, future-focused team
- Discover endless opportunities to grow your talent and drive your career, whether it's through a promotion or lateral move, at home or internationally
- Enjoy a thoughtful, well-crafted rewards package that recognizes your contribution and amplifies your impact
- Take good care of yourself and your family, with a wide range of health and wellbeing benefits including high-quality healthcare, prevention and wellness programs and at least 14 weeks' gender-neutral parental leave
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