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(Senior) Machine Learning Engineer

CHARM Therapeutics is a new biotech company focused on delivering transformational medicines to patients through the application of 3-D deep learning on molecular configurations.
Along with scalable cloud computing, modern drug discovery technologies and a culture that allows for creative risk-taking, we intend to develop drugs against historically difficult-to-drug targets involved in key oncogenic pathways.
CHARM Therapeutics seeks a mission-driven machine learning engineer to help us research and develop cutting-edge methods of 3D deep learning and apply them to drug discovery.

The Role

    • Building and training of sophisticated transformers operating on molecular graphs.
    • Processing of datasets to feed into these models.
    • Application of these models to different drug discovery tasks.
    • Surveying and keeping up-to-date with the relevant literature to see if it can be integrated into our projects.


    • BS/MS in computer science, mathematics, physics, chemistry or related field from a top institution.
    • 1-3+ years of experience in a MLE role at a tech or biotech company.
    • Experience training transformer architectures.
    • Experience training deep nets on multiple GPUs.
    • Excellent interpersonal skills, oral and written communication skills. Willing to genuinely work within an interdisciplinary team and learn the domains of other fields.
    • Comfortable in Pytorch and/or JAX.


    • PhD in machine learning, chemistry, structural biology or related field.
    • Previously applied machine learning to chemistry or structural biology.
    • Experience with bio and chem toolkits (e.g RDKit, Openeye, BioPython, etc)
    • Savvy in state-of-the-art deep learning techniques (gradient rematerialization etc).
    • ML Ops tools (Pytorch Lightning, onnx, jit, deepspeed).
    • Understanding of equivariance and representation theory.