Founding Machine Learning Scientist (Molecular AI)

Novogaia is building computational systems to discover and develop small molecule medicines from fungi. They are seeking a founding machine learning scientist to design and advance models that infer molecular structure and properties directly from mass spectrometry data. Responsibilities: Lead the development of the next generation of our molecular foundation model for mass spectrometry; Design and train models for mass spectra to molecular structure inference; Develop latent molecular representations from MS/MS and related data; Extend structure predictions into downstream molecular reasoning (e.g., bioactivity, prioritization) Qualifications: Experience developing and training machine learning models in PyTorch or similar frameworks; Experience designing novel modeling approaches and implementing the latest methods from the literature; Ability to independently scope and execute research problems involving large, high-dimensional datasets, including handling noise and distributional shifts; Experience training models at scale (cloud or HPC environments); Strong software engineering skills in Python, including writing clean, well-structured, production-quality code Required Skills: Machine learning, PyTorch, Model design, Research problem scoping, High-dimensional data analysis, Noise handling, Distributional shift handling, Model training at scale, Cloud computing, High performance computing, Python programming, Software engineering, Generative models, Geometric deep learning, Molecular datasets, Chemical datasets, Spectral datasets, Metabolomics, Mass spectrometry, Computational modeling