Job Details

Machine Learning Engineer, AI/ML for Drug Discovery

Join to apply for the Machine Learning Engineer, AI/ML for Drug Discovery role at Atomwise

Machine Learning Engineer, AI/ML for Drug Discovery

Join to apply for the Machine Learning Engineer, AI/ML for Drug Discovery role at Atomwise

About Atomwise:

Atomwise is a TechBio company leveraging AI/ML to revolutionize small molecule drug discovery. The Atomwise team invented the use of deep learning for structure-based drug design; a core technology of Atomwise's best-in-class AI discovery and optimization engine, which is differentiated by its ability to find and optimize novel chemical matter. The company's belief is that structurally novel chemical matter increases the likelihood of developing first-in-class and best-in-class medicines that have the potential to transform patient care.

About Atomwise:

Atomwise is a TechBio company leveraging AI/ML to revolutionize small molecule drug discovery. The Atomwise team invented the use of deep learning for structure-based drug design; a core technology of Atomwise's best-in-class AI discovery and optimization engine, which is differentiated by its ability to find and optimize novel chemical matter. The company's belief is that structurally novel chemical matter increases the likelihood of developing first-in-class and best-in-class medicines that have the potential to transform patient care.

Atomwise has extensively tested its discovery and optimization engine, delivering hit ID success in over 230 academic and collaboration projects-to-date that cover a wide breadth of protein classes and numerous "hard-to-drug" targets. Atomwise is building a pipeline of small-molecule drug candidates with first-in-class and best-in-class potential in immunology.

The Role:

We seek a highly motivated and creative Machine Learning Engineer 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.

Responsibilities:

• Productionize novel deep learning tools for molecular property prediction, design and optimization, and virtual screening.
• Design and execute experiments to evaluate the performance of experimental models and improve training and inference time/cost.
• Conduct in-depth analyses of model outputs and performance metrics to identify areas for improvement.
• Collaborate with cross-functional teams of software engineers, chemists and biologists to integrate ML models into drug discovery pipelines.
• Stay up-to-date with the latest advancements in machine learning and computational chemistry, and integrate them into Atomwise ML models.
• Maintain and extend our scalable and efficient machine learning frameworks for at-scale use by drug discovery teams.
  
  

• Masters or higher in Computer Science, Machine Learning, Computational Chemistry, or a related field.
• Two or more years of industry experience in productionizing machine learning models for distributed training and inference.
• Proficiency in designing and implementing novel machine learning frameworks 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, well-documented code in a large codebase.
• Experience with machine learning models of chemical systems is preferred.
• Familiarity with cheminformatics tools and libraries (e.g., RDKit) is a plus.
  
  

• 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
  
  

Atomwise is an equal opportunity employer and strives to foster an inclusive workplace. We are a TechBio company leveraging AI/ML to revolutionize small-molecule drug discovery, and we know that we need a diverse team to develop medicines that serve diverse populations. Accordingly, Atomwise does not make any employment decisions (including but not limited to, hiring, compensation, and promotions) on the basis of race, religion, color, national origin, gender, gender identity, sexual orientation, age, veteran status, disability status, or any other characteristics protected by applicable federal, state, and local law.

We strongly encourage people of diverse backgrounds and perspectives to apply.

Seniority level

• Seniority level

  Entry level

Employment type

• Employment type

  Full-time

Job function

• Job function

  Engineering and Information Technology

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