Genesis Molecular AI · 2 days ago
Applied ML Scientist, Cheminformatics (Staff / Principal)
San Mateo, CA
Full-time
Onsite
Senior Level, Lead/StaffGenesis Molecular AI is pioneering foundation models for molecular AI to unlock a new era of drug design and development. The role is for an Applied ML Scientist in Cheminformatics who will bridge research and drug discovery programs, focusing on building, evaluating, and improving AI models for drug discovery challenges.
Artificial Intelligence (AI)BiotechnologyInformation Technology
Responsibilities
Work directly with project teams to assess model performance and utility, including applicability to current project needs, and collaborate with ML and engineering teams to resolve issues or add new functionality
Assist experimental colleagues with use and interpretation of model predictions by providing context about model quality and prediction uncertainty
Evaluate model quality by validating predictions against project data and internal or external benchmarks
Curate internal and external datasets for model training and validation (in collaboration with experimental teams)
Contribute to design and analysis of experiments on model changes and alternative architectures
Qualification
Required
A seasoned computational scientist with a proven track record of machine learning based methods to impact small molecule drug discovery projects
A cheminformatics expert, fluent in the language of molecular data with hands-on mastery of tools like RDKit or OpenEye
A scientist who speaks the language of experimental drug discovery, with a strong familiarity with common assay types (biochemical/binding/cell-based assays, in vivo studies, etc.) and CADD workflows (docking, virtual screening, ADME prediction, etc.)
A rigorous data scientist, with experience in modeling and analysis of small molecule datasets and passion for statistical validation, uncertainty quantification, and deriving clear insights from complex, noisy data
A hands-on applied scientist and software engineer with strong coding skills in Python and a deep practical knowledge of the applied ML toolkit (e.g., scikit-learn, PyTorch)
An exceptional communicator and collaborator, able to act as the bridge between machine learning researchers and experimental scientists
A curious, problem-oriented mind, excited to dive into the emerging field at the intersection of AI, physics, chemistry, and biology and make foundational contributions and discoveries
A true team player who thrives in highly collaborative, mission-driven environments where science and engineering are deeply intertwined
Inspired by our culture of intellectual curiosity and the shared belief that breakthroughs happen when diverse perspectives and minds unite
Preferred
A PhD in Cheminformatics, Computational Chemistry, Computer Science, or a related field
A track record of publications applying machine learning to drug discovery challenges
Deep expertise in advanced modeling techniques such as graph neural networks, multitask modeling, active learning, or Bayesian optimization
Experience with large-scale data management, including SQL databases and data pipelining tools
Strong opinions on molecule featurization and model validation
Benefits
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.
Company
Genesis Molecular AI
Genesis Therapeutics unifies AI and biotech to accelerate the discovery of new medicines.
Founded in 2019
51-200 employees
H1B Sponsorship
Genesis Molecular AI has a track record of offering H1B sponsorships. Please note that this does not
guarantee sponsorship for this specific role. Below presents additional info for your
reference. (Data Powered by US Department of Labor)
Distribution of Different Job Fields Receiving Sponsorship
Represents job field similar to this job
Trends of Total Sponsorships
2025 (3)
2024 (1)
2023 (1)
2022 (1)
Funding
Current Stage
Growth StageTotal Funding
$256.1MKey Investors
Andreessen HorowitzRock Springs Capital
2023-08-21Series B· $200M
2020-12-02Series A· $52M
2020-04-01Series Unknown
Leadership Team
Evan Feinberg
Founder and CEO
Aleksandra Faust
Chief AI Officer
Recent News
Genetic Engineering News
2025-12-10
MIT Technology Review
2025-11-27
Company data provided by crunchbase