Machine Learning Research Engineer (MLRE) - GPUs

About this role

Achira seeks a Machine Learning Research Engineer to optimize deep learning models for molecular simulation on GPU hardware. You'll profile and accelerate PyTorch/JAX implementations while collaborating with scientists to push computational boundaries in AI-driven drug discovery.

What you'll do

• Profile and optimize PyTorch and JAX code for GPU performance without sacrificing accuracy or scientific validity
• Develop GPU-accelerated implementations using CUDA, Triton, Warp, and similar frameworks
• Partner with NVIDIA to integrate their tools and represent company needs in the GPU ecosystem
• Work directly with research scientists to identify high-impact optimization opportunities
• Travel between San Francisco and New York offices for cross-team collaboration
• Own optimization projects end-to-end from design through deployment on distributed infrastructure

What they're looking for

• GPU optimization and CUDA programming
• PyTorch and JAX frameworks
• GPU performance profiling and benchmarking
• High-performance computing frameworks (Triton, Warp)
• Distributed systems and multi-cloud compute
• Scientific software engineering
• Equivariant neural architectures and 3D point clouds (nice to have)
• Collaborative software development

Benefits

• Work on frontier AI problems in molecular simulation and drug discovery
• Access to massive compute, data, and research resources
• Collaborate with world-class ML researchers and scientists
• Well-funded, talent-dense organization
• Flexibility for remote work with exceptional candidates
• Opportunity to shape cutting-edge deep learning architectures