Atomic AI · 1 day ago
Senior Scientist, Cheminformatics
South San Francisco, California, United States
Full-time
Hybrid
Senior Level
$135K/yr - $180K/yrAtomic AI is pioneering new frontiers in drug discovery using artificial intelligence. As a Senior Scientist in Cheminformatics, you will extract insights from high throughput datasets to advance preclinical drug discovery and drive the development of in silico screening pipelines.
Artificial Intelligence (AI)Machine LearningMedical
Responsibilities
Serve as an internal expert on RNA-small molecule (RNA-SM) interactions and small molecule design within the ML team
Perform statistical analyses to interpret biological variability and extract actionable insights from RNA-SM interaction datasets
Collaborate closely with the internal wetlab team, influencing the design of experimental assays to probe RNA-SM interactions
Design and implement computational pipelines for analyzing compound properties in RNA-SM datasets, performing virtual screening, and developing predictive models (e.g., QSAR)
Utilize data analysis and ligand-based modeling to support early-stage drug discovery, including small molecule library design and rational drug design strategies
Curate small-molecule datasets for training of ML models, help evaluate model performance, and provide directions for improvement
Qualification
Required
Ph.D. in Computational Chemistry, Chemical Informatics, Chemistry, Biophysics, or a closely related field (or equivalent practical experience)
Strong background in organic or medicinal chemistry and multi-year industry experience applying chemical principles in cheminformatics workflows
Strong Python programming skills, including proficiency with cheminformatics-focused libraries such as NumPy, pandas, and RDKit
Strong foundation in statistics and experience with conducting statistical analysis of large-scale datasets
Experience developing, validating, and applying ligand-based modeling approaches, including shape-based methods (e.g., ROCS) and QSAR modeling
Conceptual understanding of ML model development and evaluation
Excellent communication and presentation skills, with the ability to clearly and effectively share technical information with colleagues
Preferred
Understanding of RNA biology and research experience with RNA secondary and tertiary structure
Background or familiarity with high-throughput experimental assays used for evaluating RNA-SM interactions
Expertise with structure-based methods for computational drug design and optimization
Experience developing custom machine learning models (e.g., using scikit-learn) and with deep learning frameworks (such as JAX or PyTorch)
Experience integrating advanced machine learning methods into cheminformatics pipelines
Benefits
Equity
Benefits
Company
Atomic AI
Atomic AI combines machine learning with structural biology to enable the design of RNA-targeted small molecules and RNA-based therapeutics.
Founded in 2021
11-50 employees
H1B Sponsorship
Atomic 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
2022 (1)
Funding
Current Stage
Early StageTotal Funding
$42MKey Investors
Playground Global8VC
2023-08-29Series A
2023-01-25Series A· $35M
2021-01-01Seed· $7M
Leadership Team
Raphael Townshend
Founder & CEO
Recent News
Greylock
2025-12-01
Company data provided by crunchbase