Job description


Our client is seeking a Data Scientist to join their Cheminformatics team. This role can be REMOTE, with possible annual trip(s) to Burlington, MA office site.

Why Work Here

  • One of the top three R&D investors in the life science tools industry
  • Products and services for the biotech and pharmaceutical industries
  • Colleagues and challenges to unleash your innovative potential
  • Helping to advance the promise of life science


  • Cheminformatics Technology Development works closely with the Chemistry team, product development team, and commercial teams to advance our core cheminformatics capabilities
  • Design and lead development of novel AI/ML driven platforms and algorithms for predicting retrosynthetic pathways
  • Contribute to the further development of the retrosynthetic software and associated technology according to roadmap of product development
  • Identify further refinements, expanded capabilities using knowledge of other software and related technology
  • Stay on top of latest developments in the field of machine learning, advanced analytics and cheminformatics and lead the internalization of promising approaches


  • Bachelor of Science in Life Science or Computer Science
  • 3+ years of cheminformatics experience, preferably in retro- and forward-synthesis
  • 5+ years of ML model development in chemistry domain, generative modeling, and deep learning
  • Experience in machine learning, deep learning, statistical methodology, predictive modeling, and algorithm development to analyze large sets of chemical data
  • Familiarity with cheminformatic tools and libraries such as RDKit
  • In-depth understanding of deep learning algorithms such as Graph Convolutional Networks, Transformer architecture, Generative Models
  • Experience with one or more of deep graph learning (e.g., graph convolutional networks, neural message passing networks), natural language processing (NLP), and generative models (e.g., VAE, GAN, Flow)
  • Experience with Monte-Carlo tree search, genetic algorithms, and reinforcement learning
  • Documented experience in coding in Python, git or otherwise


  • Pay range is up to $130K annually ($55 to $65 per hour, commensurate with experience)
  • Optional participation in benefits plan (medical, dental, vision, 401k, etc.)
  • Contract opportunity with likely potential for extension/direct hire


If your skills match the requirements for this exciting opportunity, please submit your resume today.

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