Job Description
About the Role
We are seeking a highly skilledData Engineering Specialistto support and enhance scientific workflows in the domain of Computational Chemistry within our IT division. This role focuses on co-developing maintaining and optimizing scientific workflows databases and HPC that enable computational chemistry molecular modeling and other research and development efforts. The ideal candidate will have hands-on experience with scientific software tools such as Grace Amber and strong programming and analytical skills.
You will work independently under general guidance and collaborate closely with senior engineers and domain scientists to ensure robust scalable and efficient data workflows that accelerate drug discovery and research.
Key Responsibilities
- Design develop and maintain pipelines and workflows supporting computational chemistry molecular modeling applications.
- Work with molecular encoding formats such as SMILES notation and SDF molecular file formats; apply chemoinformatics methods to support data analysis and integration.
- Develop automation scripts for data processing tasks such as data averaging user administration and workflow automation.
- Troubleshoot software and data issues related to scientific workflows and databases.
- Participate in research and development of scientific software projects
- Collaborate with computational chemists bioinformaticians and senior data engineers to understand data requirements and translate them into scalable engineering solutions.
- Document data engineering processes workflows and best practices.
- Stay current with advances in data engineering technologies scientific software and HPC computing relevant to biopharma research.
Required Qualifications
- Bachelors or Masters degree in Computer Science Bioinformatics Chemistry or a related field.
- Proven experience working with scientific software such as Schrdinger Amber and Grace.
- Strong proficiency in Python programming including experience with libraries for data processing and automation.
- Familiarity with molecular encoding formats (SMILES SDF) and chemoinformatics methods.
- Experience developing automation scripts for data processing and user administration.
- Experience in user administration training and technical support.
- Experience with HPC software development and integration including Python Fortran MPI Git job schedulers and Linux.
- Experience with tools such as PySpark R Shiny PyTorch or similar.
- Ability to work independently with minimal supervision while collaborating effectively with cross-functional teams.
- Strong problem-solving skills and attention to detail.
- Excellent communication skills to document and share technical information clearly.
Preferred Qualifications
- Experience with cloud platforms (AWS Azure GCP) and containerization (Docker Singularity Apptainer).
- Familiarity with database technologies (SQL NoSQL) and data versioning tools.
- Knowledge of molecular modeling computational chemistry or related scientific domains.
- Experience with workflow management tools (e.g. Airflow Nextflow).
What We Offer
- Opportunity to work at the cutting edge of biopharma research and drug discovery.
- Collaborative and innovative work environment.
- Professional development and growth opportunities.
- Competitive salary and benefits package.
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Current Contingent Workers apply HERE
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:
VISA Sponsorship:
Travel Requirements:
Flexible Work Arrangements:
Hybrid
Shift:
Valid Driving License:
Hazardous Material(s):
Required Skills:
Business Intelligence (BI) Data Analysis Database Administration Data Engineering Data Management Data Modeling Data Visualization Design Applications Microsoft Azure Software Development
Preferred Skills:
Job Posting End Date:
08/31/2025
*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.
Required Experience:
Unclear Seniority