Research Sciences IC4

Technology, Data & Digital · Data, AI & Analytics · Data Science · Machine Learning

In short

We are seeking Machine Learning researchers to develop AI emulators for biomolecular function, aiming for quantum chemical accuracy and high throughput. This role involves contributing to research, developing models, orchestrating data generation, and preparing technical documentation within an interdisciplinary team.

Responsibilities

Contribute to and drive a high-impact, research agenda development on machine learning in the molecular sciences.
Develop strategies for integrating large-scale heterogeneous model data from molecular simulation and laboratory experiments and identifying untapped data sources.
Write research code to test new approaches or develop novel theoretical and practical insights.
Prepare technical papers and presentations.
Work on a day-to-day basis with an international and interdisciplinary research team on one overarching research goal.
Be fully committed to one research project that may take several years to come to fruition and prioritizing team success over individual research interests.

Requirements

Experienced in Python software development with object-oriented design and basic deployment, ideally demonstrated by published software projects (e.g., github).
Experienced in developing and implementation of deep learning systems (e.g., in PyTorch or JAX) and agentic software design and testing.
Experienced in modelling or simulation of molecules, ideally biomolecules
High-quality publications in leading disciplinary or interdisciplinary venues or demonstrated leadership in software development.

Desired Qualifications

Experience with protein science, bioinformatics, biophysics or computational Chemistry.
Understanding of computational statistics and experience with generative model development (e.g., diffusion or flow-models).
Experience in method development for molecular dynamics and statistical mechanics.
Track-record of developing and optimizing novel deep learning architectures.

Benefits

Typical base pay range for this role across United Kingdom is £ 74,700.00 - £ 122,600.00 per year.
Typical base pay range for this role across Germany is € 90,100.00 - € 152,500.00 per year.
Typical base pay range for this role across Netherlands is € 78,800.00 - € 133,300.00 per year.
Certain roles may be eligible for benefits and other compensation.

Skills

PythonPyTorchJAX

#AI#Machine Learning#Biomolecular Function#Drug Development#Computational Chemistry#Physics#Biology#Python#Deep Learning#PyTorch#JAX#Molecular Simulation#Protein Science#Bioinformatics#Biophysics#Generative Models

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