---
title: 'Scientific Machine Learning Engineer at Schrödinger'
canonical: 'https://feeny.ai/job/scientific-machine-learning-engineer-schrodinger-new-york-a01jnd7atbsw'
type: 'job'
last_seen: '2026-10-14'
---

# Scientific Machine Learning Engineer at Schrödinger

- **Company:** Schrödinger
- **Location:** New York, NY
- **Posted:** 2026-09-30
- **Last confirmed live:** 2026-10-14
- **Apply:** https://job-boards.greenhouse.io/schrdinger/jobs/8008663003

## Job description

We’re seeking a Scientific Machine Learning (ML) Engineer to join us in our mission to transform the discovery of therapeutics and materials!

Our Hit Discovery team builds computational workflows that combine machine learning with chemical physics to efficiently evaluate billions of potential drug molecules. As a member of this group, you’ll collaborate with research scientists on improving the accuracy and applicability of these methods and turn them into robust, scalable software products.

Who will love this job:

- An applied problem solver who’s excited about addressing challenging problems in computational chemistry and thrives when working with large codebases and data sets
- A growth-oriented engineer who’s eager to adopt best practices like automated testing and code reviews
- A collaborative communicator who enjoys bridging the gap between ML, software engineering, and scientific research

What you’ll do:

- Design, build, and test scalable software for ML virtual screening pipelines, integrating ML applications with physics-based backends (such as docking and free energy perturbation) to optimize hit and hit-to-lead campaigns
- Work closely with scientists to adapt and expand our existing workflows for new discovery cases, as well as help develop new methodologies with our current pipelines
- Explore scientific literature and benchmark novel ML approaches to improve the applicability and accuracy of core hit discovery workflows

What you should have:

- Bachelor’s degree or higher in Chemistry, Physics, Computer Science, or a related field
- Between one and three years of production-level software development experience
- Prior ML knowledge (i.e., Reinforcement Learning or Active Learning) for predicting measurable properties of biological and/or chemical systems
- Python programming proficiency and experience with ML frameworks like PyTorch

We’d love to hire someone with:

- Familiarity with one of the following areas: molecular dynamics simulation, free energy calculation methods, ligand-based drug design, cheminformatics, quantum mechanics, virtual screening, and/or structured modeling
- Experience with development of relevant commercial and/or open-source computational chemistry software

Pay and perks:

Schrödinger understands it’s people that make a company great. Because of this, we’re prepared to offer a competitive salary, equity-based compensation, and a wide range of benefits that include healthcare (with dental and vision), a 401k, pre-tax commuter benefits, a flexible work schedule, and a parental leave program. We have a company culture that is relaxed, but engaged, and over a month of paid vacation time.  Our Office Management team also plans a myriad of fun company-wide events. New York is home to our largest office, but we have teams all over the world. Schrödinger is honored to have been included in Crain's New York Best Places to Work, BuiltIn's NYC Best Place to Work, and Newsweek's list of America's 100 Most Loved Workplaces.

Estimated base salary range: $130,000 - $160,000. Actual compensation package is dependent on a number of factors, including, for example, experience, education, degrees held, market data, and business needs. If you have any questions regarding the compensation for this role, do not hesitate to reach out to a member of our Strategic Growth team.

Sound exciting? Apply today and join us!

As an equal opportunity employer, Schrödinger hires outstanding individuals into every position in the company. People who work with us have a high degree of engagement, a commitment to working effectively in teams, and a passion for the company's mission. We place the highest value on creating a safe environment where our employees can grow and contribute, and refuse to discriminate on the basis of race, color, religious belief, sex, age, disability, national origin, alienage or citizenship status, marital status, partnership status, caregiver status, sexual and reproductive health decisions, gender identity or expression, sexual orientation, or any other protected characteristic. To us, "diversity" isn't just a buzzword, but an important element of our core principles and key business practices. We believe that diverse companies innovate better and think more creatively than homogenous ones because they take into account a wide range of viewpoints. For us, greater diversity doesn't mean better headlines or public images - it means increased adaptability and profitability.

## About Schrödinger

## Company Overview
- **One-liner**: Schrödinger provides a physics-based computational platform for molecular discovery and design, transforming how therapeutics and materials are discovered.
- **Entity Type**: Public (Nasdaq: SDGR)
- **Headquarters**: New York, New York, USA
- **Founded**: 1990
- **Founders**: Dr. Richard A. Friesner (co-founder) and Dr. William A. Goddard III (co-founder)

## Core Business
- **Primary industry/industries**: Biotechnology, Drug Discovery, Materials Science, Computational Chemistry, Software
- **Target customers**: B2B — pharmaceutical companies, biotech firms, and materials science organizations (R&D, discovery teams); also serves academic institutions.
- **Mission or purpose statement**: “Our mission is to improve human health and quality of life by transforming the way therapeutics and materials are discovered.” [schrodinger.com](https://www.schrodinger.com/company/about/)

## Products & Services
- **FEP+ (Free Energy Perturbation+)**: A physics-based computational tool for accurately predicting binding affinities and optimizing drug candidates (SaaS).
- **LiveDesign**: An enterprise platform for collaborative molecular design, enabling teams to track, analyze, and share data in real time (SaaS).
- **Schrödinger Platform (Core)**: A comprehensive suite of physics-based modeling and simulation tools for small molecule discovery, materials design, and predictive modeling (SaaS).
- **Materials Science Platform**: Specialized tools for designing polymers, formulations, and advanced materials (SaaS).
- **Drug Discovery Pipeline**: Internal and collaborative drug discovery programs targeting high-value therapeutic areas, leveraging their own platform.
- **Education & Certification**: Online courses and certification programs for computational chemistry and molecular design.

## Market Standing
- **Valuation/Market Cap**: As of early 2025, market cap is approximately $2.5–3.0 billion (fluctuates with market).
- **Key Metric**: Annual Revenue (public) — FY2024 revenue was approximately $180–200 million (SaaS + drug discovery collaborations).
- **Notable Investors/Partners**: Key partners include major pharmaceutical companies (e.g., Novartis, Takeda, Bayer) and materials science firms. Public shareholders include institutional investors like Vanguard and BlackRock.
- **Growth Signals**: Consistently growing software revenue; expanding drug discovery pipeline; recognized as a leader in computational chemistry; listed on the 2022 *Fortune* 100 Fastest-Growing Companies; named #1 in Pharmaceuticals and Biotech on *Newsweek*’s America’s 100 Most Loved Workplaces 2022. [schrodinger.com](https://www.schrodinger.com/company/about/)

## Competitive Advantages
- **Physics-based platform**: Proprietary, physics-first approach (not purely AI/ML) that provides high accuracy and predictive power, differentiating from competitors.
- **Deep R&D investment**: Over 30 years of continuous investment in computational methods and force fields.
- **Integrated platform + pipeline**: The company uses its own platform internally to advance a pipeline of drug discovery programs, creating a virtuous feedback loop for platform improvement.
- **Strong IP moat**: Extensive patent portfolio covering both the platform and drug discovery methods.
- **Established partnerships**: Long-term collaborations with top pharma and materials companies, providing recurring revenue and validation.

## Strategic Focus
- **Platform expansion**: Continuing to enhance the physics-based platform with machine learning and AI capabilities (e.g., ML-driven force fields, retrosynthesis).
- **Therapeutics pipeline**: Advancing proprietary and collaborative drug programs into the clinic, focusing on high-value targets with human genetics validation.
- **Materials science growth**: Expanding the materials platform into new industries (e.g., electronics, consumer goods).
- **Global reach**: Growing operations in key markets including Japan, India, and Europe.

## Why Work Here
- **Culture & values**: Emphasizes collaboration, compassion, diversity, and ethical conduct. Recognized as a top workplace (No. 1 in Pharmaceuticals and Biotech on *Newsweek*’s 100 Most Loved Workplaces 2022). [schrodinger.com](https://www.schrodinger.com/company/about/)
- **Work environment**: Flexible work environment with hybrid options. New York office features snack options, gym access, and modern collaborative spaces. [schrodinger.com](https://www.schrodinger.com/company/careers/)
- **Benefits**: Competitive salary and annual bonuses; equity compensation; 401k with employer match; over a month of paid vacation; two annual company shut-down weeks; paid parental leave; subsidized backup care (child/elder/pet); medical, dental, vision; mental health benefits; flexible spending accounts; tuition reimbursement; access to Schrödinger’s online courses and mentor program. [schrodinger.com](https://www.schrodinger.com/company/careers/)
- **Engineering & science culture**: A multidisciplinary team of over 800 employees (scientists, software engineers, ML engineers) working at the intersection of physics, chemistry, and computer science. Strong focus on professional development and learning.
- **Global presence**: 12 offices worldwide (New York, Cambridge, San Diego, Portland, Hyderabad, Tokyo, Munich, Mannheim, London, and more), offering a diverse, global team.

## Sources
1. [Schrödinger About Page](https://www.schrodinger.com/company/about/)
2. [Schrödinger Careers Page](https://www.schrodinger.com/company/careers/)
3. [Schrödinger Homepage](https://www.schrodinger.com/)
4. [Schrödinger Team Page](https://www.schrodinger.com/company/team/)
5. [Schrödinger Jobs on Greenhouse](http://job-boards.greenhouse.io/schrdinger)

## Other roles at Schrödinger

- [DMPK Scientist](https://feeny.ai/job/dmpk-scientist-schrodinger-new-york-d2p9t0z7s8yp) — New York, NY / Cambridge, MA / San Diego, CA / Portland
- [Legal Operations Analyst (6-month Contractor) - Hyderabad](https://feeny.ai/job/legal-operations-analyst-6-month-contractor-hyderabad-schrodinger-hyderabad-5s0t8sdbsen1) — Hyderabad, India
- [Senior Scientist - Materials Science Software, Hyderabad](https://feeny.ai/job/senior-scientist-materials-science-software-hyderabad-schrodinger-hyderabad-s3adc2ghd2cm) — Hyderabad, India
- [Product Manager, Materials Science AI and Machine Learning](https://feeny.ai/job/product-manager-materials-science-ai-and-machine-learning-schrodinger-new-york-v7wrbkzmgzv4) — New York, NY / Portland / San Diego, CA
- [Director of Financial Planning & Analysis](https://feeny.ai/job/director-of-financial-planning-analysis-schrodinger-new-york-vk3z2425nrh0) — New York, NY
- [Applications Scientist, Japan](https://feeny.ai/job/applications-scientist-japan-schrodinger-tokyo-kmes19nazxk8) — Tokyo, Japan
- [Senior Manager, External Reporting & Technical Accounting](https://feeny.ai/job/senior-manager-external-reporting-technical-accounting-schrodinger-portland-xphc6dwxp4er) — Portland
- [Senior Associate, India Finance (Hyderabad)](https://feeny.ai/job/senior-associate-india-finance-hyderabad-schrodinger-hyderabad-378yrq9jz9bc) — Hyderabad, India
- [Senior Software Developer, LiveDesign Infrastructure](https://feeny.ai/job/senior-software-developer-livedesign-infrastructure-schrodinger-new-york-gt7nvjb8favf) — New York, NY
- [Global Portfolio Leader, Electronics](https://feeny.ai/job/global-portfolio-leader-electronics-schrodinger-cambridge-v31rasqmnksv) — Cambridge, MA / New York, NY / Portland / San Diego, CA