Associate Director, Computational Chemistry

Nimbus has an opportunity for an exceptional Computational Chemist, Chemoinformatician, and/or Machine Learning Scientist to join our team. The qualified candidate will be a creative, detail-oriented problem solver with a passion for drug discovery and a track record of applying machine learning methods in the chemical domain. This position offers an exciting opportunity to broadly impact decision-making and accelerate the delivery of development candidates across Nimbus’ discovery portfolio. You will report to our Head of Computational Chemistry.

In this role, you will:

  • Develop and apply both novel and precedented machine learning methodology to inform programs at all stages of discovery, including the prediction of target tractability, enhancement of virtual screening, molecular ideation, prediction of ADMET properties and the multi-parameter optimization of potency, ADMET and physiochemical properties in the development of drug candidates
  • Be an active partner in the entire machine learning lifecycle, from data curation to the establishment of testing and retraining pipelines
  • Operate within and across discovery teams to tangibly address program challenges
  • Work closely with discovery scientists to maximize savvy usage of predictive modeling
  • Publish and present critical research

These qualifications will help this role be successful:

  • PhD. in computational chemistry, chemistry, chemical engineering, biochemistry, biophysics, or a related scientific field with a computational focus on small molecule chemistry and/or protein structure. Applicant should be fluent in chemistry to influence compound design and to receive and action on feedback from medicinal chemists and other discovery scientists
  • Knowledge of deep learning techniques that are emerging in the chemistry domain and familiarity with publicly available codes. Expertise with ChemProp, DGL, or similar technology, and familiarity with active learning strategies is a plus
  • Industry experience in pharma/biotech is a plus, as is a strong familiarity with medicinal/computational chemistry principles of ligand and structure-based design, DMPK principles, and multi-parameter optimization
  • Publication record of successfully applying deep learning techniques to chemical problems of relevance to drug discovery is preferred
  • Excellent verbal and written communication and organizational skills required
  • Ability to navigate, problem-solve, and execute in a dynamic, fast-paced and cross-functional environment

A Snapshot of Nimbus 

Our Science  

At Nimbus, we design breakthrough medicines. Utilizing our powerful structure-based drug discovery engine, we create potent and selective small molecule compounds targeting proteins that are known to be fundamental drivers of pathology in highly prevalent human diseases and which have proven difficult for other drug makers to tackle. With a decade-plus track record of success, we’ve built a world-class team in both computationally driven drug discovery and early clinical development while continuing to move the needle for patients.  

Our Culture 

Nimbus is a close-knit company (our employees are Nimbi, if you are curious!) that values a fast-paced, entrepreneurial, intellectual-stimulating, and collaborative environment. We live by our Core Values: Integrity, a Passion for Excellence, Teamwork, and Authentic Communication and strive to build a community where we bring out the best in each other professionally and personally.  

Our Company 

Founded in 2009, Nimbus is a private, growing biotechnology company headquartered in Cambridge, Massachusetts. Learn more about us by going to 

Join Nimbus. We are making a difference and you can too. 

At Nimbus, we believe our diversity of backgrounds and experiences strengthens our community and our ability to design breakthrough medicines. We prioritize creating an inclusive, welcoming culture that promotes our core values and encourages every Nimbi to bring their whole selves to their work. Nimbus is proud to be an equal opportunity employer. We value and celebrate all our employees and recognize that our diversity and inclusion are keys to our success. Nimbus is committed to providing equal opportunity for all employees and applicants without regard to race, color, gender, gender identity, sexual orientation, age, religion, national or ethnic origin, disability, protected veteran status or any other basis protected by applicable law. Nimbus does not accept unsolicited resumes from any source other than directly from candidates.


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