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ML Scientist, Molecular Design Platform

Pioneering Intelligence

Salary not specified
Sep 22, 2025
Cambridge, MA, US
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FL117, a venture-back stealth AI x bio startup, is seeking a highly skilled ML Scientist to build out the architectures, training pipelines and overall development of next-gen multi-modal generative models for biomolecular design, pushing the frontier of AI-powered drug discovery.

Requirements

  • Experience training large-scale generative (transformer/diffusion) models on HPC or multi-GPU, multi-node distributed systems
  • Proficiency in Python and relevant ML libraries (PyTorch or TensorFlow)
  • Knowledge of biological data formats (FASTA, SDF, PDBx/mmCIF) and domain-specific ontologies/metadata standards
  • Experience with models like ESM, DiffDock, ProteinMPNN, OpenFold, etc.
  • Familiarity with ML software development and cloud services (Docker, AWS Batch, Step Functions, EKS, AWS ParallelCluster, etc.)
  • Experience with libraries like: rdkit, rosetta, prody, biopython, pymol, openmm, dagster, prefect, etc.

Responsibilities

  • Spearhead the design and development of cutting-edge deep learning models aimed at advancing generative biomolecular design.
  • Design novel representation and tokenization of biomolecules to enable more efficient transfer learning
  • Own and establish a robust research infrastructure.

Other

  • MSc or PhD in Computer Science, AI/ML, Physics, Biophysics, or a related field
  • 2+ years of internship/full-time industry or postdoctoral ML research experience
  • 2+ years of experience developing production-grade machine learning solutions
  • Proven ability to lead technical initiatives, communicate progress, and drive innovation in generative biomolecular design
  • Contributed to open-source data projects in biology/chemistry. Please send us your GitHub, if applicable.
  • Strong presence in the ML community through publications and conference proceedings. Please send a list of publications, if applicable.