Machine Learning Force Field Scientist

Schrödinger; New York (NY); On-site; USD 120,000 - 175,000; Full time

Benefits offered by this job

Healthcare

401k

Commuter benefits

Flexible schedule

Parental leave

Paid vacation

Job summary

Schrödinger is seeking a Machine Learning (ML) Scientist to advance the discovery of therapeutics and materials using physics-based software for efficient molecule design. The role focuses on building ML force fields, training models, and applying them to complex condensed-phase systems in collaboration with an interdisciplinary team.

The ideal candidate has a PhD (or extensive experience) in a relevant field, strong experience with ML toolkits (PyTorch, Scikit-Learn, NumPy, SciPy, Pandas), and

Qualifications

• A PhD (or extensive experience) in Chemistry, Materials Science, Engineering, Computer Science, or Physics.
• A proven track record of scientific contribution and independent research.
• Prior experience with development of ML force fields and/or electronic structure methods.

Responsibilities

• Build and manage large data sets generated using quantum chemical methods at scale to develop predictive ML force fields.
• Develop software that trains and applies ML force fields to challenging problems in life and materials sciences.
• Extend the accuracy, capability and generalization of current ML force fields.
• Communicate results and present ideas to the team.

Skills

Python

ML toolkits

PyTorch

Scikit-Learn

NumPy

SciPy

Pandas

DFT

Electronic structure

Independent research

Education

PhD in Chemistry / Materials Science / Engineering / CS / Physics

Tools

Quantum chemistry software

Job description

Machine Learning (ML) Scientist

We’re seeking a Machine Learning (ML) Scientist to join us in our mission to transform the discovery of therapeutics and materials. Schrödinger has pioneered a physics-based software platform that enables discovery of high-quality, novel molecules for drug development and materials applications more rapidly and at lower cost compared to traditional methods. The software platform is used by biopharmaceutical and industrial companies, academic institutions, and government laboratories around the world. Our multidisciplinary drug discovery team also leverages the software platform to advance collaborative programs and its own pipeline of novel therapeutics to address unmet medical needs.

Who Will Love This Job

• An ML force fields expert who has developed, validated, and applied ML force fields to simulate complex condensed-phase systems, such as solid-liquid interfaces, reactive events in the condensed phase, or solvated biomolecules


• An innovator who’s driven to leverage technical knowledge to make a tangible impact


• A scientist with deep knowledge of both finite system and periodic DFT, as well as other electronic structure methods, and who understands the limitations and appropriate applications of these methods


• A proficient Python programmer with prior knowledge of ML toolkits such as PyTorch, Scikit-Learn, NumPy, SciPy, and Pandas


• An independent researcher who enjoys collaborating with an interdisciplinary team in a fast-paced environment

What You’ll Do

• Build and manage large data sets generated using quantum chemical methods at scale to develop predictive ML force fields


• Develop software that trains and applies ML force fields to challenging problems in life and materials sciences


• Extend the accuracy, capability and generalization of current ML force fields


• Communicate results and present ideas to the team

What You Should Have

• A PhD (or extensive experience) in Chemistry, Materials Science, Engineering, Computer Science, or Physics


• A proven track record of scientific contribution and independent research


• Prior experience with development of ML force fields and/or electronic structure methods

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: $120,000 - $175,000. 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.

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.