Post Doctoral Fellow- Drug Discovery AIMachine Learning Hybrid

Rahway, NJ - USA

Monthly Salary: Not Disclosed

Posted on: 30+ days ago

Vacancies: 1 Vacancy

Job Summary

Job Description

Be a part of the legacy: Postdoctoral Research Fellow Program

Our Research Laboratories Postdoctoral Research Fellow Program aims to be a best-in-industry program for industrial postdoctoral researchers designed to provide you with an academic focus in a commercial environment. With the resources reach and expertise of a large pharmaceutical company postdoctoral researchers will be positioned to excel in an institution committed to breakthrough innovation in research and discovery.

The Pharmacokinetics Dynamics Metabolism and Bioanalytics (PDMB) function at research laboratories is seeking a highly motivated postdoctoral fellow with expertise in machine learning to help transform drug discovery and preclinical development. You will join an interdisciplinary team and collaborate closely with research partners across our global organization. You will invent prototype and apply advanced Machine Learning (ML) methodsparticularly in generative modeling and related areasto expand our capabilities in designing prioritizing and characterizing novel therapeutic candidates.

Primary Responsibilities

Conduct original research to develop state-of-the-art AI/Machine learning methods for drug discovery (e.g. molecular generative models multi-objective optimization property prediction active learning)
Design and execute experiments analyze results rigorously and iterate rapidly on model architectures and training strategies
Build robust reproducible code and workflows; contribute to shared libraries and documentation
Collaborate with chemists biologists Pharmacokinetics Dynamics Metabolism and Bioanalytics (PDMB) scientists and data/ML engineers to translate methods into impactful applications
Communicate findings through internal presentations and peer-reviewed publications; present at conferences and workshops

Education Minimum Requirements

Ph.D. (or completion within six months) in Computer Science Statistics Physics Applied Mathematics Bioinformatics Computational Biology Chem/Informatics Engineering or a related field

Required Experience and Skills

Demonstrated research excellence and problem-solving ability; strong motivation to learn innovate and deliver
Proficiency in core ML/statistics topics such as probability statistical inference optimization discrete math/algorithms and/or probabilistic modeling
Strong programming skills in Python and experience with modern ML frameworks (e.g. PyTorch TensorFlow)
Track record of publications and/or presentations in ML computational chemistry/biology or related fields
Excellent collaboration and communication skills; proven ability to work in cross-functional teams

Preferred Experience and Skills (nice to have)

Experience with molecular representations (e.g. SMILES graphs) generative models (e.g. diffusion models VAEs flow models) and sequence/structure models (e.g. transformers GNNs protein or RNA models)
Familiarity with cheminformatics/biophysics toolkits (e.g. RDKit) docking or molecular simulation ADMET modeling or DMPK-relevant endpoints
Practical experience with experimental design active learning uncertainty quantification or multi-objective optimization
Software engineering best practices (Git testing containers) and experience working with large datasets and cloud/GPU environments

#PostdoctoralOpportunities

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Search Firm Representatives Please Read Carefully
Merck & Co. Inc. Rahway NJ USA also known as Merck Sharp & Dohme LLC Rahway NJ USA does not accept unsolicited assistance from search firms for employment opportunities. All CVs / resumes submitted by search firms to any employee at our company without a valid written search agreement in place for this position will be deemed the sole property of our company. No fee will be paid in the event a candidate is hired by our company as a result of an agency referral where no pre-existing agreement is in place. Where agency agreements are in place introductions are position specific. Please no phone calls or emails.

Employee Status:

Regular

Relocation:

Domestic

VISA Sponsorship:

Yes

Travel Requirements:

10%

Flexible Work Arrangements:

Hybrid

Shift:

Not Indicated

Valid Driving License:

Hazardous Material(s):

N/A

Required Skills:

Algorithms Artificial Intelligence (AI) Computational Biology Computational Chemistry Computer Science Electrical Engineering Machine Learning Physics Statistical Inferences Statistics

Preferred Skills:

Job Posting End Date:

10/7/2025

*A job posting is effective until 11:59:59PM on the day BEFOREthe listed job posting end date. Please ensure you apply to a job posting no later than the day BEFORE the job posting end date.

Job DescriptionBe a part of the legacy: Postdoctoral Research Fellow ProgramOur Research Laboratories Postdoctoral Research Fellow Program aims to be a best-in-industry program for industrial postdoctoral researchers designed to provide you with an academic focus in a commercial environment. With th...