insitro · 1 month ago
(Senior) Applied Machine Learning Scientist
South San Francisco, CA
Full-time
Onsite
Mid, Senior Level
$185K/yr - $235K/yr
3+ years expinsitro is a drug discovery and development company leveraging machine learning and data at scale to transform medicine. The Applied Machine Learning Scientist will utilize the ChemML platform to drive drug design across therapeutic programs and contribute to the development of ML models for small molecule discovery.
BiotechnologyHealth CareLife ScienceMachine LearningPharmaceuticalTherapeutics
Responsibilities
Work with industry-leading ADMET/In Vivo PK datasets to train and finetune foundation chemistry AI models
Develop small molecule generative AI and enumeration methods conditioned using our ADMET/affinity models for multi-parameter optimization (MPO)
Collaborate with software engineering teams to build robust pipelines for active/iterative learning and automated DMTL cycles
Directly shape the roadmap for our ChemML platform's evolution
Collaborate cross-functionally with machine learning scientists, medicinal chemists, and computational chemists to design and prioritize novel compounds using model outputs
Apply predictive models and AI-enabled design methods to solve real molecular optimization challenges across multiple therapeutic programs
Track performance of our binding affinity, selectivity, and ADMET/PK models on discovery programs and translate those insights into model improvements
Communicate model capabilities, results, limitations, and recommendations clearly to diverse stakeholders in regular discovery team meetings
Qualification
Required
PhD in computational chemistry, computer science, machine learning, cheminformatics, or related field
3+ years of industry experience applying machine learning to small molecule drug discovery
Strong programming skills in Python and modern deep learning frameworks (PyTorch or TensorFlow)
Demonstrated expertise in developing geometric deep learning and/or generative AI methods for small molecules
Proficiency with at least 1-2 cheminformatics toolkits (RDKit, OpenEye, or Schrödinger)
Excellent communication skills with ability to translate technical concepts to diverse audiences
A solid familiarity with small molecule drug discovery process and design methods (e.g., SAR, MPO, DMTL cycles, ADMET assays, in silico enumeration)
Benefits
401(k) plan with employer matching for contributions
Excellent medical, dental, and vision coverage as well as mental health and well-being support
Open, flexible vacation policy
Paid parental leave of at least 16 weeks to support parents who give birth, and 10 weeks for a new parent (inclusive of birth, adoption, fostering, etc)
Quarterly budget for books and online courses for self-development
Support to attend professional conferences that are meaningful to your career growth and role's responsibilities
New hire stipend for home office setup
Monthly cell phone & internet stipend
Access to free onsite baristas and cafe with daily lunch and breakfast for employees who are either onsite or hybrid
Access to free onsite fitness center for employees who are either onsite or hybrid
Access to a free commuter bus and ferry network that provides transport to and from our South San Francisco HQ from locations all around the Bay Area
Company
insitro
Insitro is a drug discovery and development startup that utilizes machine learning and biology to transform drug discovery.
201-500 employees
H1B Sponsorship
insitro 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 (12)
2024 (12)
2023 (12)
2022 (7)
2021 (4)
2020 (8)
Funding
Current Stage
Growth StageTotal Funding
$643MKey Investors
CPP InvestmentsAndreessen Horowitz
2021-03-15Series C· $400M
2020-05-26Series B· $143M
2018-05-02Series A· $100M
Leadership Team
Daphne Koller
Founder and CEO
D
Divya Kanichar
Director
Recent News
2025-10-31
Company data provided by crunchbase