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AI Research Engineer

Xaira Therapeutics, Inc.

Job Overview

Location

Remote

Job Type

Full-time

Full Job Description

📋 Description

• Join Xairatherapeutics as an AI Research Engineer and sit at the intersection of cutting-edge machine learning and life-saving drug discovery. You will design, train, and deploy large-scale generative models that invent brand-new proteins and antibodies—molecules that have never existed in nature—then shepherd them from in-silico concept to in-vitro validation.
• Own the full ML lifecycle for protein design: curate multi-modal datasets (sequences, structures, binding assays, cryo-EM maps), architect transformer-based diffusion and language models with billions of parameters, and push the frontier of generative protein modeling.
• Develop foundation models for biology that learn universal representations of genes, cells, and tissues. Your embeddings will power downstream tasks such as target elucidation, patient stratification, and biomarker discovery, directly influencing which diseases we pursue and how we design clinical trials.
• Translate high-level therapeutic hypotheses into concrete ML problems. Collaborate with wet-lab scientists to define objective functions that balance potency, selectivity, manufacturability, and immunogenicity, ensuring every model you ship is optimized for real-world drug development constraints.
• Build scalable training and inference infrastructure on AWS and Google Cloud. You will containerize experiments with Docker, orchestrate multi-node GPU jobs with Slurm and Kubernetes, and implement fault-tolerant checkpointing so that a 512-GPU run can resume in minutes, not hours.
• Pioneer evaluation frameworks that go beyond perplexity. Design in-silico docking simulations, ML-based stability predictors, and active-learning loops that prioritize only the most promising designs for costly wet-lab testing, cutting iteration cycles from months to days.
• Work hand-in-hand with protein engineers, structural biologists, and medicinal chemists in agile, cross-functional pods. Present findings in weekly “ML-Bio” syncs, translate complex model outputs into intuitive visualizations, and jointly decide which candidates advance to animal studies.
• Contribute to Xaira’s open-source and publication strategy. Publish in top-tier venues such as NeurIPS, ICML, and Nature Biotechnology, release code and datasets that set new community standards, and establish Xaira as a thought leader in AI-driven drug discovery.
• Mentor junior researchers and interns, fostering a culture of scientific rigor, reproducibility, and ethical AI. Lead reading groups on geometric deep learning, diffusion models, and protein folding, and champion best practices for responsible AI in healthcare.
• Stay ahead of the curve: track emerging techniques in equivariant neural networks, large-scale pre-training for molecules, and multi-modal transformers. Rapidly prototype promising ideas, run ablation studies, and pivot quickly when data tells a different story.
• Influence product strategy by translating research breakthroughs into platform features. Your models will be productized into self-service tools used by internal project teams and external pharma partners, directly impacting the speed and success rate of drug pipelines across oncology, immunology, and rare diseases.
• Champion data-centric AI. Establish rigorous data-quality gates, version datasets with DVC, and implement privacy-preserving techniques such as federated learning and differential privacy to protect patient data while maximizing utility.
• Drive continuous integration of experimental results into a living knowledge graph. Build automated pipelines that ingest new assay readouts, update model priors, and surface actionable insights to scientists, ensuring every experiment makes the next model smarter.

🎯 Requirements

• Ph.D. in Computer Science, Computational Biology, or related field with 3+ years of post-graduate experience in deep learning for proteins or molecules
• Proven track record of publishing in top-tier ML or bioinformatics venues (NeurIPS, ICML, ICLR, Nature Methods, Cell Systems)
• Expert-level Python and PyTorch; hands-on experience with distributed training on 100+ GPUs using NCCL, DeepSpeed, or FairScale
• Deep understanding of protein structure and sequence data; familiarity with tools such as AlphaFold2, ESM, or RFdiffusion
• Nice-to-have: experience with cloud-native MLOps (Kubeflow, Vertex AI, SageMaker Pipelines) and container orchestration (Kubernetes, Helm)

🏖️ Benefits

• Fully remote-first culture with quarterly in-person off-sites in San Francisco, Seattle, and London
• Competitive equity package plus annual performance bonus
• Comprehensive health, dental, and vision insurance for you and dependents
• Annual learning & conference budget of $5,000 plus dedicated GPU time for personal research projects
• Flexible PTO policy and company-wide mental health days

Skills & Technologies

Remote

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Xaira Therapeutics, Inc.

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About Xaira Therapeutics, Inc.

Xaira Therapeutics is a biotechnology company developing generative AI-driven platforms to design and advance novel protein therapeutics for treating disease. By integrating machine learning with structural biology and medicinal chemistry, the company aims to accelerate drug discovery and improve the specificity and efficacy of biologics across multiple therapeutic areas.

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