SandboxAQ · 3 months ago
Machine Learning Cheminformatics Engineer, Drug Discovery
United States
Full-time
Remote
Mid, Senior Level
$167K/yr - $234K/yr
1+ years expSandboxAQ is a high-growth company delivering AI solutions that address some of the world's greatest challenges. The role involves driving innovative projects in drug discovery using cheminformatics, machine learning, and computational chemistry, collaborating with a multi-disciplinary team to optimize drug design solutions.
Artificial Intelligence (AI)Cyber SecurityInformation TechnologyQuantum ComputingSaaS
Responsibilities
Design and implement software that leverages informatics, machine learning, and computational chemistry to address unmet needs in drug discovery
Contribute to ongoing research leveraging physics-based simulation, deep learning, and knowledge graphs for drug discovery applications
Work closely with an interdisciplinary team of scientists to identify hits and optimize leads in ongoing drug discovery programs
Leverage Bayesian optimization and active learning to improve experimental designs and make data-driven decisions
Collaborate with computational chemistry experts and cross-functional teams to rapidly prototype and scale cutting-edge, impactful drug design solutions
Translate research and applications to maintainable software systems
Contribute to the scientific community by writing patents / journal articles and presenting at conferences
Translate insights from statistics, multimodal data analysis, and ML to actionable and testable drug discovery hypothesis
Qualification
Required
PhD in chemistry, biology, computer science, or a related discipline
1-5 years of relevant experience including hands-on experience with informatics, machine learning, and computational chemistry applied to drug discovery in the private sector, like biotech or pharma
Experience with cheminformatics and bioinformatics methods (e.g., similarity / substructure searching, reaction-based enumeration, sequence alignment, etc.)
Experience with molecular property prediction and multi-objective optimization using machine learning and / or deep learning methods
Experienced with common python toolkits for scientific computing (e.g., numpy, pandas, scipy), machine learning (e.g., scikit-learn, pytorch), and cheminformatics / bioinformatics (e.g., rdkit, openeye, biotite, biopython)
Familiarity running simulations and training models on high-performance computing (GPU) environments for corporate R&D, innovation labs, or academic research
An interest in solving scientific problems in chemistry and biology via computational and data-driven methods
A drive to cooperate with colleagues to identify problems and communicate technical solutions in an accessible manner
Hands-on mentality & comfortable with getting deep into the technical weeds of highly complex problems, and a track record of driving projects to completion
Benefits
Annual discretionary bonuses
Equity
Competitive salaries
Stock options depending on employment type
Generous learning opportunities
Medical/dental/vision
Family planning/fertility
PTO (summer and winter breaks)
Financial wellness resources
401(k) plans
Company
SandboxAQ
SandboxAQ develops AI and quantum technology solutions that enhance biopharma, cybersecurity, and materials science.
51-200 employees
H1B Sponsorship
SandboxAQ 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 (7)
2024 (6)
2023 (3)
2022 (5)
2021 (1)
2020 (5)
Funding
Current Stage
Late StageTotal Funding
$975MKey Investors
Eric Schmidt Angel InvestmentsMichael J. Fox Foundation
2025-04-04Series E· $150M
2024-12-18Series E· $300M
2024-10-29Grant· $25M
Leadership Team
Jack Hidary
Chief Executive Officer
Joerg Rathenberg
Head Of Marketing
Recent News
2026-01-10
2025-12-30
Company data provided by crunchbase