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Machine Learning Research Scientist/Engineer, AI/ML for Drug Discovery
@Atomwise
[Hiring] Machine Learning Research Scientist/Engineer, AI/ML for Drug Discovery @Atomwise
Apr 05, 2025 - Atomwise is hiring a remote Machine Learning Research Scientist/Engineer, AI/ML for Drug Discovery. 💸 Salary: $175,000- $260,000. 📍Location: USA.
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Role Description
We seek a highly motivated and creative Machine Learning Researcher to join our growing team. You will be at the forefront of developing and applying advanced machine-learning models to accelerate the discovery of novel therapeutics. Your work will directly impact the development of innovative AI-driven drug discovery platforms. This role offers the opportunity to work on challenging problems at the intersection of machine learning, chemistry, and biology, with access to extensive datasets and state-of-the-art computational resources.
- Develop and implement novel deep learning models for molecular property prediction, design and optimization, and virtual screening.
- Design and execute experiments to evaluate the performance of generative models in generating chemically valid and biologically relevant molecules.
- Collaborate with cross-functional teams of chemists, biologists, and software engineers to integrate ML models into drug discovery pipelines.
- Conduct in-depth analyses of model outputs and performance metrics to identify areas for improvement.
- Stay up-to-date with the latest advancements in machine learning and computational chemistry, and contribute to the scientific community through publications and presentations.
- Contribute to the development of scalable and efficient machine learning infrastructure by productionizing research for at-scale use by drug discovery teams.
- Explore and implement innovative techniques for multi-objective optimization, property prediction, and active learning within the context of generative modeling for drug design.
Qualifications
- Ph.D. in Computer Science, Machine Learning, Computational Chemistry, Bioinformatics, or a related field.
- Hands-on experience with graph neural networks, multi-task learning, active learning strategies, multi-objective optimization, and generative modeling, in particular their application to problems in small molecule drug discovery.
- Proficiency in designing and implementing novel machine learning architectures in PyTorch.
- Strong problem-solving and analytical skills, with a demonstrated ability to conduct independent research.
- Experience with collaborative software engineering and developing high quality, maintainable code in a large codebase.
- Demonstrable communication and collaboration skills.
- A strong publication record in relevant conferences and journals is highly desirable.
- Experience with 3D generative modeling and knowledge of protein-ligand interactions is a plus.
- Experience in optimizing models for large-scale training and inference is a plus.
- Familiarity with cheminformatics tools and libraries (e.g., RDKit) is a plus.
Benefits
- Competitive salary, commensurate with experience
- Stock compensation plan – you'll be an Atomwise co-owner
- Platinum health, dental, and vision benefits for you and your dependents
- 401(k) retirement plan with generous company match (up to 4%)
- Flexible paid time off (PTO), 13 paid holidays, and wellness breaks for employees to spend time with their loved ones and recharge
- Health Savings and Flexible Spending Account options to help save money on healthcare, daycare, and commuting
- Employee Assistance Program (EAP) and Pet Insurance
- Funding for professional development and conference attendance
- Flexible work schedule
- Generous paid parental leave
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| 📍 | Be aware of the location restriction for this remote position: USA |
| ‼ | Beware of scams! When applying for jobs, you should NEVER have to pay anything. Learn more. |
Back to Remote jobs >
Software Development
Software Development
|
Salary
💸
$175,000- $260,000
|
Remote
Location
USA
|
|
Job Type
full-time
|
Posted
Apr 05, 2025
|
️
| 📍 | Be aware of the location restriction for this remote position: USA |
| ‼ | Beware of scams! When applying for jobs, you should NEVER have to pay anything. Learn more. |
Machine Learning Research Scientist/Engineer, AI/ML for Drug Discovery
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