Machine Learning Scientist I / II, Protein Design
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What you'll do
- Design molecules for active biologics programs, partnering with domain scientists to translate target, mechanism, and experimental constraints into actionable design hypotheses.
- Develop reasoning capabilities for drug discovery, including orchestrating design workflows.
- Design and maintain benchmarks and evaluation infrastructure that measure whether design workflows produce useful, generalizable decisions across biologics programs.
- Own operations around reproducibility, throughput, and inference cost of computational design workflows.
- Work with domain scientists to understand how designs are prioritized and turn that judgment into ML objectives and evaluation criteria.
What they're looking for
- MS or PhD in computer science, machine learning, computational biology, biophysics, bioengineering, or a similar quantitative field.
- Strong software engineering and system design fundamentals.
- Rigor in evaluation and dataset design: how benchmarks leak, why a good validation number fails downstream, and how to measure whether an automated system is making good decisions.
- Strong cross-functional communication skills.
- Domain expertise in protein sequence, structure, and function.
Nice to have
- Experience building reasoning models, agents, planning systems, or multi-step ML orchestration.
- Exposure to designing antibodies, nanobodies, enzymes, peptides, or other therapeutic proteins within design-test-learn loops.
- Experience in developing evaluation harnesses, model registries, or benchmark suites.
- Training or serving models at scale: distributed training, GPU efficiency, high-throughput inference.
- Publications, open-source contributions, or applied research outputs in AI for Science venues.
Summarised by NextRaise from the employer’s description, which follows in full below.
Full description from employer
Your Impact at LILA
Lila is building a platform where AI and automation co-evolve to solve the hardest problems in medicine. Within Life Sciences AI, the AI for Protein Engineering team builds models and systems that take a biologic from design specification to wet-lab validated lead.
We're hiring a machine learning scientist to design molecules on real programs and turn what they learn into capabilities that generalize across programs. The ideal candidate is an exceptional builder with strong biological intuition: someone who can turn work on individual campaigns into reliable, extensible systems that improve how we design molecules across programs. You'll work closely with domain scientists, platform teams, and AI researchers to connect specialist protein design models to Lila's broader autonomous science platform.
What You'll Be Building
- Design molecules for active biologics programs, partnering with domain scientists to translate target, mechanism, and experimental constraints into actionable design hypotheses.
- Develop reasoning capabilities for drug discovery, including orchestrating design workflows.
- Design and maintain benchmarks and evaluation infrastructure that measure whether design workflows produce useful, generalizable decisions across biologics programs.
- Own operations around reproducibility, throughput, and inference cost of computational design workflows.
- Work with domain scientists to understand how designs are prioritized and turn that judgment into ML objectives and evaluation criteria.
What You'll Need to Succeed
- MS or PhD in computer science, machine learning, computational biology, biophysics, bioengineering, or a similar quantitative field.
- Strong software engineering and system design fundamentals.
- Rigor in evaluation and dataset design: how benchmarks leak, why a good validation number fails downstream, and how to measure whether an automated system is making good decisions.
- Strong cross-functional communication skills.
- Domain expertise in protein sequence, structure, and function.
Bonus Points For
- Experience building reasoning models, agents, planning systems, or multi-step ML orchestration.
- Exposure to designing antibodies, nanobodies, enzymes, peptides, or other therapeutic proteins within design-test-learn loops.
- Experience in developing evaluation harnesses, model registries, or benchmark suites.
- Training or serving models at scale: distributed training, GPU efficiency, high-throughput inference.
- Publications, open-source contributions, or applied research outputs in AI for Science venues.
Compensation
We offer competitive base compensation with bonus potential and generous early-stage equity. Your final offer will reflect your background, expertise, and expected impact.
U.S. Benefits. Full-time U.S. employees receive a comprehensive benefits program including medical, dental, and vision coverage; employer-paid life and disability insurance; flexible time off with generous company wide holidays; paid parental leave; an educational assistance program; commuter benefits, including bike share memberships for office based employees; and a company subsidized lunch program.
International Benefits. Full-time employees outside the U.S. receive a comprehensive benefits program tailored to their region. USD salary ranges apply only to U.S.-based positions; international salaries are set to local market.
About LILA
Lila Sciences is building Scientific Superintelligence™ to solve humankind's greatest challenges. We believe science is the most inspiring frontier for AI. Rather than hard-coding expert knowledge into tools, LILA builds systems that can learn for themselves.
LILA combines advanced AI models with proprietary AI Science Factory™ instruments into an operating system for science that executes the entire scientific method autonomously, accelerating discovery at unprecedented speed, scale, and impact across medicine, materials, and energy. Learn more at www.lila.ai.
Guided by our core values of truth, trust, curiosity, grit, and velocity, we move with startup speed while tackling problems of historic importance. If this sounds like an environment you'd love to work in, even if you don't meet every qualification listed above, we encourage you to apply.
We’re All In
Lila Sciences is committed to equal employment opportunity regardless of race, color, ancestry, religion, sex, national origin, sexual orientation, age, citizenship, marital status, disability, gender identity or Veteran status.
Information you provide during your application process will be handled in accordance with our Candidate Privacy Policy.
A Note to Agencies
Lila Sciences does not accept unsolicited resumes from any source other than candidates. The submission of unsolicited resumes by recruitment or staffing agencies to Lila Sciences or its employees is strictly prohibited unless contacted directly by Lila Science’s internal Talent Acquisition team. Any resume submitted by an agency in the absence of a signed agreement will automatically become the property of Lila Sciences, and Lila Sciences will not owe any referral or other fees with respect thereto.
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