Help us invent the future of pharmaceutical research.

Atomwise uses artificial intelligence to help discover new medicines. Based in San Francisco and funded by Data Collective, DFJ, and Khosla Ventures, we created the first Deep Learning Neural Network for drug discovery and design – AtomNet.

Over the last 2 years, AtomNet has been deployed to help invent new potential medicines for 27 disease targets. We work with leading research groups at top organizations including Harvard University, Stanford University, Scripps Research Institute, and several large pharmaceutical companies, advancing the frontiers of human health.

Atomwise’s notable successes have included promising compounds for the treatment of multiple sclerosis, Ebola, and botulinum neurotoxin, as well as work in cancer, malaria, and metabolic diseases. Today, Atomwise searches 1 million potential drug molecules every 24 hours.

Now, we are actively seeking new team members to help us do great science and make big discoveries. That’s where you come in.

We invite you to read more about Atomwise on arXiv, BBC, Vice, NPR, The Wall Street Journal, and TechCrunch.

We are not currently offering visa sponsorships for these positions, please only apply if eligible to work in the U.S.


  • Senior Machine Learning Engineer

  • Senior Cheminformatics/Bioinformatics researcher

Senior Machine Learning Engineer

We are looking for a senior machine learning engineer to help develop our core ML algorithms and software tools to solve challenging questions in drug discovery research. You will develop, extend, and analyze new deep learning algorithms, as well as design and build data infrastructure and tools to manage, automate, and evaluate performance at scale.

Required Qualifications:

  • Ph.D. or M.Sc. in computer science, statistics, or related field, or equivalent practical experience
  • 5+ years of extensive practical experience and proven track record of developing, implementing, debugging, and extending machine learning algorithms
  • Strong software engineering skills and coding expertise in at least one high-level programming language (Python, R, Java, C/C++, etc.)
  • Experience developing data infrastructure and tools and familiarity with large-scale data processing technologies
  • Proficiency with the Linux environment
  • Strong analytical and quantitative skills

Preferred Qualifications:

  • Knowledge of modern neural network frameworks such as Tensorflow, Torch, or Theano
  • Experience with cloud computing environments (AWS/Azure/GCE)
  • GPU programming using CUDA
  • Some biomedical knowledge or experience in processing chemical or biological data is preferred but not required


  • Apply to this job

Senior Cheminformatics/Bioinformatics researcher

We are looking for a senior algorithm developer with strong cheminformatics or bioinformatics background. You will be designing and developing cheminformatics algorithms, analyze massive datasets, and conduct novel early-stage drug discovery research.

Required Qualifications:

  • M.Sc/Ph.D in Cheminformatics, Bioinformatics, Computational Biology, Computer Sciences, Statistics, or related field
  • 5+ years experience in complex algorithm development
  • Strong computer science fundamentals
  • Molecular modeling experience in one or more of the following: virtual screening, pharmacophore modeling, QSAR, docking, ligand-based modeling, and MD simulations
  • Sound knowledge of statistics, data analytics, and data visualization
  • Strong coding skills in at least one high-level programming language (Python, R, Java, C++, etc.)
  • Deep familiarity with Linux command-line environment

Preferred Qualifications:

  • Experience in implementing and applying machine learning algorithms
  • Experience working with scalable algorithms utilizing large amounts of data
  • Experience with cloud computing environments (AWS/Azure/GCE)


  • Apply to this job