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Peter St. John pstjohn

Machine Learning Engineer at NVIDIA working on digital biology. Ex-project lead and senior scientist at the National Renewable Energy Laboratory.

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pstjohn/README.md

Hi there 👋

I'm currently working at NVIDIA, accelerating digital biology workloads on GPUs through the BioNeMo Framework (NVIDIA/bionemo-framework)

At NREL, I worked on graph convolutional neural networks for organic and inorganic material design, as well as reinforcement learning methods for generating new candidates.

I also developed interactive ML tools in the computational chemistry space. See them here:

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  1. NatLabRockies/alfabet NatLabRockies/alfabet Public

    Machine learning predictions of bond dissociation energy

    Python 68 24

  2. d3flux d3flux Public

    D3.js based visualizations of cobrapy metabolic models

    Jupyter Notebook 51 11

  3. NatLabRockies/nfp NatLabRockies/nfp Public

    Keras layers for end-to-end learning with rdkit and pymatgen

    Python 62 35

  4. bde_prediction_flask bde_prediction_flask Public

    Dockerized web service for serving tensorflow 2 BDE predictions

    CSS 3

  5. cv cv Public

    vue3 cv/resume served at pcstj.com/cv

    Vue 1

  6. NatLabRockies/graph-env NatLabRockies/graph-env Public

    Reinforcement learning for combinatorial optimization over directed graphs

    Python 43 10