Machine Learning and Computational Chemistry Scientist

3 weeks ago


San Francisco, United States SPECTRAFORCE Full time
Job Title: Machine Learning and Computational Chemistry Scientist Duration: 12 Months Location: South San Francisco, CA 94080

Description: The client is seeking a highly motivated Machine Learning Scientist with domain expertise in mass-spectrometry (MS) data to join Machine Learning Drug discovery (MLDD) within the Client Company's Research and Early Development department. The successful candidate will drive research and engineering efforts to develop MS data platforms that enable drug discovery research within the department. This role involves extensive collaboration with computational and experimental scientists and researchers across the department to deploy and deliver machine learning and engineering solutions for small-molecule drug discovery.

Roles & Responsibilities: Implement machine learning and computational chemistry-based methods to enhance mass-spectrometry workflows, focusing on small molecule drug discovery, ensuring high accuracy and efficiency in analytical processes. Closely collaborate with other scientists and researchers within and outside MLDD to identify platform development and automation opportunities for analytical workflows that facilitate drug discovery research. Build and scale the mass-spectrometry and analytical chemistry platform by deploying novel machine learning and computational algorithms in collaboration with experimental teams that meet the research needs of the broader department and the Client Company's community. Contribute to and drive publications, present results at internal and external scientific conferences, and help make code and workflows open source.

Desired Qualifications: MS or PhD degree in the physical sciences (e.g. Chemistry, Physics, Chemical Engineering) or quantitative field (e.g. Computer Science, Machine Learning) or equivalent industry research experience. 3-5 years of applicable experience. Record of scientific excellence as evidenced by at least one publication in a scientific journal or conference. Fluent in Python and experience with scientific software development for analytical chemistry (e.g. RDKit, MS data suite including, but not limited to, Proteowizard, Sirius, GNPS, XCMS, Asari) Demonstrated experience with modern Python frameworks for deep learning like PyTorch Experience working with biochemical or biophysical datasets including graph, sequence, and structure-based data. Public portfolio of projects available on GitHub/GitLab



  • South San Francisco, United States Aequor Technologies Full time

    Job Title : Machine Learning and Computational Chemistry Scientist Location : South San Francisco, CA Duration : Until 01/06/2026 Job Description The client is seeking a highly motivated Machine Learning Scientist with domain expertise in mass-spectrometry (MS) data to join Machine Learning Drug discovery (MLDD) within the Client Company's...

  • Senior Scientist II

    4 weeks ago


    San Francisco, United States Revolution Medicines Full time

    Revolution Medicines is a clinical-stage precision oncology company focused on developing novel targeted therapies to inhibit frontier targets in RAS-addicted cancers. The company’s R&D pipeline comprises RAS(ON) Inhibitors designed to suppress diverse oncogenic variants of RAS proteins, and RAS Companion Inhibitors for use in combination treatment...

  • Senior Scientist II

    3 days ago


    San Francisco, United States Jobleads-US Full time

    Revolution Medicines is a clinical-stage precision oncology company focused on developing novel targeted therapies to inhibit frontier targets in RAS-addicted cancers. The company’s R&D pipeline comprises RAS(ON) Inhibitors designed to suppress diverse oncogenic variants of RAS proteins, and RAS Companion Inhibitors for use in combination treatment...


  • San Francisco, United States Amber Bio Full time

    Amber Bio is at the forefront of biotechnology, innovating new gene editing techniques through multi-kilobase edits aimed at previously challenging patient populations. Established by leaders in the CRISPR field from prestigious research institutions, we are developing a pioneering RNA writing platform capable of correcting thousands of bases simultaneously,...


  • San Francisco, United States Jobleads-US Full time

    Our MissionOur mission is to restore cell health and resilience through cell rejuvenation to reverse disease, injury, and the disabilities that can occur throughout life.Diversity at AltosWe believe that diverse perspectives are foundational to scientific innovation and inquiry. At Altos, exceptional scientists and industry leaders from around the world work...


  • San Francisco, United States Skills Alliance Full time

    About the Role: As one of the first ML-focused scientists in this stealth start-up company, you will lead the integration of machine learning into our R&D processes. You will collaborate closely with our interdisciplinary team of wet- and dry-lab scientists and engineers to implement state-of-the-art ML algorithms. Your role will be to advance our...


  • San Diego, United States ZipRecruiter Full time

    Job DescriptionJob Description JOB SUMMARY We are seeking a skilled Senior Machine Learning Scientist to join our team at the Iambic Therapeutics. In this role, you will work to design, develop, train, benchmark, and deploy one out of two of our machine learning models.  1.     NeuralPLexer is a protein-ligand structure prediction model based on...


  • San Francisco, United States Altos Labs Full time

    Our Mission Our mission is to restore cell health and resilience through cell rejuvenation to reverse disease, injury, and the disabilities that can occur throughout life. For more information, see our website at altoslabs.com. Our Value Our Single Altos Value: Everyone Owns Achieving Our Inspiring Mission. Diversity at Altos We believe that diverse...


  • San Diego, United States Iambic Therapeutics, Inc Full time

    Job DescriptionJob DescriptionJOB SUMMARYWe are seeking a skilled Senior Machine Learning Scientist to join our team at the Iambic Therapeutics. In this role, you will work to design, develop, train, benchmark, and deploy one out of two of our machine learning models. 1.     NeuralPLexer is a protein-ligand structure prediction model based on...


  • South San Francisco, United States Arsenal Biosciences Full time

    WHO WE ARE Arsenal Biosciences Inc. is a clinical-stage programmable cell therapy company engineering advanced CAR T-cell therapies for solid tumors. We seek a talented and experienced Principal Scientist, Machine Learning to work HYBRID based in our SOUTH SAN FRANCISCO office. ArsenalBio's mission and purpose are very clear: defeat cancer. With our...


  • San Francisco, California, United States Jobleads-US Full time

    Job DescriptionWe are seeking a highly skilled Senior Machine Learning Scientist to join our dynamic and creative team within the BRAID department at Genentech Research and Early Development (gRED). The successful candidate will be responsible for developing next-generation Machine Learning models to derive actionable insights from large-scale high-content...


  • San Francisco, United States Eli Lilly and Company Full time

    At Lilly, we unite caring with discovery to make life better for people around the world. We are a global healthcare leader headquartered in Indianapolis, Indiana. Our employees around the world work to discover and bring life-changing medicines to those who need them, improve the understanding and management of disease, and give back to our communities...


  • San Francisco, CA, United States Altos Labs Full time

    Our Mission Our mission is to restore cell health and resilience through cell rejuvenation to reverse disease, injury, and the disabilities that can occur throughout life. For more information, see our website at altoslabs.com. Our Value Our Single Altos Value: Everyone Owns Achieving Our Inspiring Mission . Diversity at Altos We believe that...


  • South San Francisco, United States Skills Alliance Full time

    About the Role: As one of the first ML-focused scientists in this stealth start-up company, you will lead the integration of machine learning into our R&D processes. You will collaborate closely with our interdisciplinary team of wet- and dry-lab scientists and engineers to implement state-of-the-art ML algorithms. Your role will be to advance our...


  • San Francisco, United States Takeda Pharmaceutical Full time

    By clicking the "Apply" button, I understand that my employment application process with Takeda will commence and that the information I provide in my application will be processed in line with Takeda's Privacy Notice and Terms of Use . I further attest that all information I submit in my employment application is true to the best of my knowledge. Job...


  • San Francisco, United States Jobleads-US Full time

    The PositionThe PositionA healthier future. It’s what drives us to innovate. To continuously advance science and ensure everyone has access to the healthcare they need today and for generations to come. Creating a world where we all have more time with the people we love. That’s what makes us Roche.Genentech seeks a highly skilled and motivated Senior...


  • San Francisco, California, United States The Rundown AI, Inc. Full time

    Job DescriptionThe Rundown AI, Inc. is seeking a highly skilled Machine Learning Scientist to join our Safety Systems team. This role will involve developing innovative machine learning techniques that push the limit of our foundation model's safety understanding and capability.Key ResponsibilitiesDeveloping and refining AI moderation models to detect and...

  • Principal Scientist

    4 weeks ago


    South San Francisco, United States Amgen SA Full time

    Join Amgen’s Mission of Serving Patients At Amgen, if you feel like you’re part of something bigger, it’s because you are. Our shared mission—to serve patients living with serious illnesses—drives all that we do. Since 1980, we’ve helped pioneer the world of biotech in our fight against the world’s toughest diseases. With our focus on four...


  • San Francisco, CA, United States Storm3 Full time

    👩‍💻 Principal ML Scientist - AI Chemistry 💊 AI/ML Drug & Cell Discovery ($170M Series C)🌎 South San Francisco, USA (hybrid) 💸 $250,000 - $300,000 salary + equity This is a uniquely accomplished drug + cellular discovery team with unprecedented success in their 4 years of inception... having already patented 6+ new entities going through...


  • San Francisco, United States Jobleads-US Full time

    The PositionA healthier future. It’s what drives us to innovate. To continuously advance science and ensure everyone has access to the healthcare they need today and for generations to come. Creating a world where we all have more time with the people we love. That’s what makes us Genentech.The OpportunityWe are seeking a highly skilled and motivated...