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Computational Chemistry & AI/ML Scientist

Marlabs
Global

  • Design and deploy AI/ML models, including graph neural networks, transformers, generative models, and Bayesian optimization for molecular property prediction and design.
  • Apply computational chemistry methodologies such as molecular dynamics, quantum mechanical calculations, and structure-based modeling to support drug discovery.
  • Collaborate with multidisciplinary teams to deploy scalable workflows in cloud and high-performance computing environments.

Python PyTorch Machine Learning
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Machine Learning Researcher - Agentic Science

PostEra
$200,000–$300,000/yr
Global

  • Develop agentic research systems to automate mechanistic model development for biochemical and physiological processes.
  • Design and train machine learning models for in-context learning and few-shot adaptation on molecular and tabular data.
  • Collaborate with chemists and biologists to drive drug discovery decisions using AI models.

PostEra is building an AI-first biotech, using its Proton AI platform to accelerate the discovery of new medicines for patients. The company has a minimalist organizational structure, celebrating individual achievement through proportional compensation and collaboration toward delivering cures.

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