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Genesis Molecular AI

Software Engineer – ML Infrastructure

Genesis Molecular AI

Software Engineer specializing in ML infrastructure for drug discovery at Genesis. Leading engineering efforts to optimize performance and efficiency in molecular AI applications.

Posted 7/27/2026full-timeSan Mateo • California • 🇺🇸 United StatesMid-LevelSeniorWebsite

Tech Stack

Tools & technologies
CloudKubernetesPyTorchRayTerraform

About the role

Key responsibilities & impact
  • Lead engineering efforts focused on continuous improvement of the AI platform, focused on rapid build out and iteration on scalable and robust distributed infrastructure for ML training, inference, and evaluation.
  • Support model training and deployment across multiple clusters and multiple clouds, optimizing for throughput and cost.
  • Optimizing efficiency of ML models and other workloads in terms of latency, throughput, memory consumption, etc. (e.g., via GPU performance engineering), pushing the limits of what’s possible with the current hardware.
  • Contribute to the long-term vision for Genesis’ infra platform.

Requirements

What you’ll need
  • Strong engineer who constantly strives for technical excellence.
  • Deeply experienced with distributed training and inference of large models on GPU clusters and some of the core libraries and frameworks we use: Pytorch, Pytorch Lightning, Pytorch Geometric, and Ray.
  • Independent thinker with a strong sense of ownership and capability of engineering robust systems from first-principles-based conceptualization to state-of-the-art realization.
  • Curious, problem-oriented thinker who is excited to dive deep into the emerging field at the intersection of AI, physics, chemistry, and biology and make foundational contributions and discoveries (no previous experience in anything but ML necessary).
  • Experienced with building, maintaining and debugging low-level cluster infrastructure running on multiple clouds using Kubernetes and Terraform.
  • Experienced GPU engineer who can quickly figure out performance bottlenecks and architect highly performant code for large scale ML workloads.
  • Experience with XLA, Triton, CUDA, or similar accelerator programming languages and/or deep learning compiler stacks.
  • Experience working with some of the following: molecular systems (protein sequences and 3D structures, small molecules, etc.), ML force fields or other physics-informed models and methods, or point cloud data in other application domains, such as 3D graphics.

Benefits

Comp & perks
  • Competitive compensation package that includes salary and equity.
  • Comprehensive health benefits: Medical, Dental, and Vision (covered 100% for the employees).
  • 401(k) plan.
  • Open (unlimited) PTO policy.
  • Free lunches and dinners at our offices.
  • Paid family leave (maternity and paternity).
  • Life and long- and short-term disability insurance.