ML Research Scientist (MLRS) - Representation Learning for Molecular AI
Achira· Machine Learning
Hybrid (San Francisco Office), Hybrid (New York Office)$164.6k - $259kFull-timePosted 3mo ago
About the role
Deep learning researcher role focused on building rich representations of atomistic systems and developing next-generation foundation models for molecular AI, with a hybrid, multi-office setup in San Francisco and New York.
Responsibilities
- Build a robust pre-, mid-, and post-training curriculum that ensures foundation model performance and impact.
- Create reinforcement learning strategies to help models focus their capacity where it matters most, especially when the training data doesn’t cover the domain of applicability.
- Develop expressive representations of molecular and atomistic structure and dynamics, including equivariant graph neural networks, geometric transformers, and latent encoders that capture physical symmetries and constraints.
- Prototype, benchmark, and iterate rapidly to transform research ideas into reusable and scalable components across Achira’s ecosystem.
- Collaborate with physicists and chemists to ensure models are grounded in real physics.
- Work with research engineers and the infrastructure team to identify where research ideas will need support in order to deliver effective results.
Qualifications
- Drive to apply modern ML techniques to solve problems at the frontier of the microscopic world.
- A willingness to follow the data and embrace an empirical approach to the bitter lesson.
- A pragmatic approach to inductive bias (eg. physical priors, equivariance) in model building.
- Experience designing, running and analyzing ML experiments at scale.
- Experience with 3D geometric deep learning.
- Machine learning researcher with professional experience (post-degree) in an industry setting.
- Demonstrated research impact through conference talks or publications (in machine learning venues), open-source contributions, or released models.
- Strong interdisciplinary communication and presentation skills and the ability to translate ideas and concepts to colleagues from non-ML backgrounds.
- Proficiency in Python and modern ML frameworks (PyTorch, JAX).
- Experience collaborating on research projects across multi-person teams.
- Desire and comfort with working on frontier problems in physical AI to invent the blueprint for how they will be tackled.
Skills
Required:ML experimentation at scale3D geometric deep learningPythonPyTorch / JAXInterdisciplinary communication
Last updated Jul 15, 2026. Interested? Apply on the company site.
About Achira
Building foundation simulation models for drug discovery
Achira is building atomistic foundation simulation models to power the future of drug discovery.
drug discoverysimulation modelsmachine learningquantum chemistrybiomolecular applications
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