Machine Learning Research Engineer (MLRE) - Research

About this role

Achira seeks an ML Research Engineer to advance foundation simulation models for molecular-level drug discovery. You'll design experiments, build scalable training infrastructure, implement novel architectures, and bridge research innovation with production-ready systems at massive compute scale.

What you'll do

• Design and execute experiments to validate hypotheses for foundation model development
• Engineer evaluation metrics and benchmarks enabling rapid model iteration
• Build scalable, reproducible libraries for training, evaluation, and simulation workflows
• Implement model architectures from literature and in-house research for molecular simulation
• Maintain agent-driven research workflows and safety guardrails
• Prepare manuscripts, software artifacts, and datasets for public release

What they're looking for

• Software engineering best practices and reproducible pipeline development
• PyTorch and JAX
• High-performance computing and distributed infrastructure
• ML research and scientific computing
• Geometric deep learning or equivariant architectures (preferred)
• Generative modeling (diffusion, flow matching)
• Open-source contribution experience
• Agent-driven research and active learning

Benefits

• Work at frontier of AI x Chemistry with world-class research team
• Own impactful projects end-to-end from ideation to deployment
• Access to massive compute and data resources
• Hybrid work in San Francisco or NYC offices
• Opportunities to publish and present at conferences
• Well-funded, talent-dense organization