Expedition
(Senior) Scientist, Machine Learning
Cambridge, MA · Senior
Sponsorship not specified$132k-$259kDetected 7 days ago
PythonMachine LearningDeep LearningPyTorchComplianceRecruitingResearchCommunicationCollaboration
About the role
- Expedition is seeking a motivated and innovative (Senior) Scientist, Machine Learning to join our team.
- The ideal candidate is highly collaborative, scientifically rigorous, comfortable with hands-on data curation, and capable of independently driving projects in a fast-paced research environment.
Responsibilities
- Design and implement rigorous benchmarks to evaluate model performance, including retrospective, prospective, and program-relevant validation strategies
- Perform hands-on data curation, quality control, and dataset construction to ensure that models are trained and evaluated on high-quality, biologically and chemically meaningful data
- Develop scalable featurization and modeling pipelines for large molecular datasets, including quantum chemistry outputs, conformer ensembles, protein-ligand interaction data, covalent reactivity data, and experimental chemoproteomics data
- Collaborate closely with computational, chemistry, biology, and proteomics teams to translate platform data into actionable models for discovery programs
- Partner with engineering teams to productionize modeling workflows, improve data infrastructure, and build self-serve capabilities for chemistry and discovery teams
Requirements
- Experience with quantum chemistry, DFT, electronic structure methods, or post-DFT descriptors.
- Experience working closely with medicinal chemistry teams to prioritize compounds, interpret model outputs, and incorporate experimental feedback into model development
- Experience with scalable data processing, model training, and analysis workflows for large scientific datasets
- Ability to work closely with experimental scientists and translate biological and chemical questions into computational strategies
- Ph.D. in machine learning, computational chemistry, chemical physics, computer science, applied mathematics, or a related discipline with 2+ years of industry experience, or M.S. degree with 6+ years of industry experience
- Experience building molecular ML models including graph neural networks, geometric deep learning, equivariant architectures, diffusion models, or related approaches. Publications or preprints in, e.g., NeurIPS, ICML, ICLR, bioRxiv a strong plus.
- Experience applying generative models, molecular design models, or active learning workflows to drug discovery or chemistry optimization problems
- Experience developing rigorous model evaluation frameworks, benchmarks, and validation strategies for molecular ML or scientific machine learning applications and an ability to curate, clean, integrate, and analyze complex, large-scale scientific datasets from multiple sources
- Proficiency with Python and modern ML frameworks such as PyTorch, PyTorch Geometric, DGL, or related tools and cheminformatics and molecular modeling toolkits such as RDKit, ORCA, Gaussian, Q-Chem, or related software is preferred
- Excellent communication and cross-functional collaboration skills
Nice to have
- Experience with covalent chemistry, reaction modeling, structure-based design, or chemoproteomics data is a plus
- Publications or preprints in, e.g., NeurIPS, ICML, ICLR, bioRxiv a strong plus.
Compensation
- Expedition Medicines currently offers healthcare coverage, annual incentive program, retirement benefits and a broad range of other benefits.
- Flagship has been recognized twice on FORTUNE's "Change the World" list, an annual ranking of companies that have made a positive social and environmental impact through activities that are part of their core business strategies and has been twice named to Fast Company's annual list of the World's Most Innovative Companies.
Benefits
- What if… you could join an organization that creates, resources, and builds life sciences companies that invent breakthrough technologies in order to transform health care and sustainability?
- Flagship Pioneering invents and builds platform companies, each with the potential for multiple products that transform human health, sustainability and beyond.
- vaccinating billions of people against COVID-19, curing intractable diseases, improving human health, preempting illness, and feeding the world by improving the resiliency and sustainability of agriculture.
Company info
- Expedition Medicines is a privately held, early-stage biotechnology company pioneering the emerging field of Protein Editing.
- At Expedition Medicines we create small molecules that edit protein structure and function to unlock presently undruggable targets and a broad array of therapeutic modalities.
- Our platform integrates novel small molecule chemistry and chemoproteomic discovery technologies with Machine Learning (ML) to enable generative design.
- Expedition Medicines is backed by Flagship Pioneering, bringing their courage, vision, and resources to guide Expedition Medicines from platform validation to patient impact.
- We are seeking collaborative, relentless problem solvers that share our passion for impact to join us!
- At Flagship, we accept impossible missions to enable bigger leaps.
Equal opportunity
- We are an equal opportunity employer.
Visa & Work Authorization
- California residents have rights under the CCPA/CPRA including to know, delete, and opt out of the sharing of their personal information.
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This listing is sourced directly from Expedition's careers page and normalized into a canonical job model.