Machine Learning Research Intern

Takeda • Boston, MA

8d • $21 - $46 • Onsite

About The Position

The Computational Chemistry Group in the Computational Science and Data Strategy (CSDS) department at Takeda Research focuses on integrating computational methodologies to advance drug discovery and development. Project goal will be to build and benchmark a multi-task ADMET predictor by fine-tuning a permissively licensed open-source LLM on SMILES inputs. How You Will Contribute: As a Computational chemistry Intern, you will have the opportunity to… 1. Curate ADMET datasets (e.g., BBB, HIA, Caco-2, logS/logD/lipophilicity, PPBR, VDss, CYPs, hERG, DILI, LD50) using TDC split recommendations. 2. Fine-tune a permissively licensed base LLM on multi-task instruction formats (SMILES → label) with parameter-efficient adapters (LoRA). 3. Quantify transfer: show that learning one property improves others (positive multi-task transfer), as suggested by generalist models like TxGemma. arXivGoogle Cloud Storage. 4. Benchmark against strong baselines including MolE (graph foundation model). 5. Deliver a reproducible codebase. Internship Development Opportunities: You will gain hands-on experience in building computational models to solve problems in real-world projects. You will be paired with a mentor who provides guidance, feedback, and insights into the pharmaceutical industry. You will have chances to connect with professionals across various departments, fostering relationships that can benefit future career paths. You will be able to participate in workshops and training sessions to improve both technical and soft skills, such as communication and teamwork. Job Requirements: This position will be based in Cambridge, MA Must be pursuing a graduate degree in Computer Science, Computational Chemistry, Chemical Engineering or related field. Solid programming and scripting capabilities (e.g., Python) with a proven ability to design and automate scalable computational workflow. Hands on experience in building predictive models using deep learning techniques. Knowledge of basic chemistry principles is required. Internship Eligibility Must be authorized to work in the U.S. on a permanent basis without requiring sponsorship Must be currently enrolled in a degree program graduating December 2026 or later The internship program is 10-12 weeks depending on the two start dates (May 26th-August 14th or June 15th- August 21st) The intern must be able to commit to one of these time frames Able to work full time 40 hours a week during internship dates Takeda does not provide a housing stipend or relocation support for the U.S Summer Internship Program Program Highlights: Hands-on experience with real projects and responsibilities Dedicated mentorship program pairing interns with experienced professionals Networking opportunities with industry professionals and fellow interns Internship events focused on professional and skills development Exposure to multiple business areas or departments within a Pharmaceutical Organization Applications will be accepted until January 4th Takeda Compensation and Benefits Summary We understand compensation may be an important factor as you consider an internship opportunity. We are committed to equitable pay for all employees, and we strive to be more transparent with our pay practices. For Location: Boston, MA U.S. Hourly Wage Range: $21.00 - $46.00 The estimated hourly range reflects an anticipated range for this position. The actual hourly wage offered will depend on the candidate’s school year/level to be entered following completion of internship. The actual hourly wage offered will be in accordance with state or local minimum wage requirements for the job location. U.S. internship benefits vary by location and may include: Paid sick time Civic Duty paid time off Participation at company volunteer events Participation at company sponsored special events Access to on-site fitness center (where available) Commuter Benefit: To offset your work-commute expenses, Takeda provides U.S. employees with a fixed monthly subsidy to be used for either public transportation (transit) or parking. EEO Statement Takeda is proud in its commitment to creating a diverse workforce and providing equal employment opportunities to all employees and applicants for employment without regard to race, color, religion, sex, sexual orientation, gender identity, gender expression, parental status, national origin, age, disability, citizenship status, genetic information or characteristics, marital status, status as a Vietnam era veteran, special disabled veteran, or other protected veteran in accordance with applicable federal, state and local laws, and any other characteristic protected by law. Locations Boston, MA Worker Type Employee Worker Sub-Type Paid Intern (Fixed Term) (Trainee) Time Type Full time Job Exempt No It is unlawful in Massachusetts to require or administer a lie detector test as a condition of employment or continued employment. An employer who violates this law shall be subject to criminal penalties and civil liability. Takeda is an industry-leading, global pharmaceutical company with an unwavering dedication to putting patients at the center of everything we do. We live our values of Takeda-ism – Integrity, Fairness, Honesty, and Perseverance – and are united by our mission to strive towards Better Health and a Brighter Future for people worldwide through leading innovation in medicine. Here, everyone matters and you will be a vital contributor to our inspiring, bold mission. At Takeda, you will make an impact on people’s lives – including your own. Takeda is an equal opportunity employer. For applicants of U.S and Puerto Rico positions: Click here to learn about our commitment to Equal Employment Opportunity (EEO). If you are limited in the ability to use our job application tool, or otherwise require a reasonable accommodation for a disability please click here.

Requirements

• Must be pursuing a graduate degree in Computer Science, Computational Chemistry, Chemical Engineering or related field.
• Solid programming and scripting capabilities (e.g., Python) with a proven ability to design and automate scalable computational workflow.
• Hands on experience in building predictive models using deep learning techniques.
• Knowledge of basic chemistry principles is required.
• Must be authorized to work in the U.S. on a permanent basis without requiring sponsorship
• Must be currently enrolled in a degree program graduating December 2026 or later
• The internship program is 10-12 weeks depending on the two start dates (May 26th-August 14th or June 15th- August 21st)
• The intern must be able to commit to one of these time frames
• Able to work full time 40 hours a week during internship dates

Responsibilities

• Curate ADMET datasets (e.g., BBB, HIA, Caco-2, logS/logD/lipophilicity, PPBR, VDss, CYPs, hERG, DILI, LD50) using TDC split recommendations.
• Fine-tune a permissively licensed base LLM on multi-task instruction formats (SMILES → label) with parameter-efficient adapters (LoRA).
• Quantify transfer: show that learning one property improves others (positive multi-task transfer), as suggested by generalist models like TxGemma. arXivGoogle Cloud Storage.
• Benchmark against strong baselines including MolE (graph foundation model).
• Deliver a reproducible codebase.

Benefits

• Paid sick time
• Civic Duty paid time off
• Participation at company volunteer events
• Participation at company sponsored special events
• Access to on-site fitness center (where available)
• Commuter Benefit: To offset your work-commute expenses, Takeda provides U.S. employees with a fixed monthly subsidy to be used for either public transportation (transit) or parking.

What This Job Offers

• Job Type: Full-time
• Career Level: Intern
• Number of Employees: 5,001-10,000 employees