Principal Scientist — Brain Molecular AI Leader

Bexorg; New Haven (CT); On-site; USD 200,000 - 250,000; Full time

Job summary

Bexorg in New Haven, CT seeks a Principal Scientist to lead development of human brain molecular world models, owning architecture, training, validation, and cross-disciplinary collaboration with drug discovery teams.

You will drive models that track molecular trajectories across brain regions and cell types, translating computational insights into actionable therapeutic decisions in CNS research. This hands-on leadership role shapes experimental strategies and platform advancement.

Qualifications

• PhD in machine learning, computational biology, statistics, physics, or related quantitative field.
• Postdoctoral or industry research experience.
• Hands-on experience with diffusion or flow-based generative models and modern probabilistic learning.
• Experience developing models for high-dimensional dynamical systems with inductive biases.
• Proficiency in Python and ML frameworks such as PyTorch or JAX.
• Experience with distributed training and reproducible ML pipelines.
• Cloud ML workloads experience.
• Strong publication record at NeurIPS/ICML/ICLR or Nature/Science/Cell.
• Ability to communicate model capabilities and implications to multidisciplinary teams.

Responsibilities

• Lead architecture, development, training, and validation of generative human brain world models.
• Develop models that capture high-dimensional molecular trajectories across brain regions, cell types, pathways, and genes.
• Work with proprietary datasets to improve model accuracy and predictive capabilities.
• Partner with experimental teams to prioritize studies and data generation strategies.
• Apply advanced ML methods including probabilistic learning for high-dimensional systems.
• Incorporate inductive biases and uncertainty into model development.
• Translate predictions through Neurolens into actionable objectives for compound design and prioritization.
• Collaborate with drug discovery scientists to inform target selection and dosing strategies.
• Evaluate model capabilities and guide additional experimentation.
• Develop reproducible ML pipelines with data and model lineage.
• Communicate complex findings to multidisciplinary teams.
• Support cross-disciplinary platform advancement.

Skills

Python

PyTorch/JAX

Deep learning

Generative modeling

Distributed training

Inductive biases

Education

PhD in ML/quantitative field

Tools

AWS

S3

CDK

Job description

Bexorg in New Haven, CT seeks a Principal Scientist to lead development of human brain molecular world models, owning architecture, training, validation, and cross-disciplinary collaboration with drug discovery teams.

You will drive models that track molecular trajectories across brain regions and cell types, translating computational insights into actionable therapeutic decisions in CNS research. This hands-on leadership role shapes experimental strategies and platform advancement.