Name: Peter St. John
Type: User
Company: @NVIDIA
Bio: Machine Learning Engineer (Autonomous Vehicles) at NVIDIA. Ex-project lead and senior scientist at the National Renewable Energy Laboratory.
Location: Golden, CO
Blog: pcstj.com/cv/
I'm currently working on graph convolutional neural networks for organic and inorganic material design, as well as reinforcement learning methods for generating new candidates. Follow my progress here:
I'm also interested in developing interactive ML tools in the computational chemistry space. See them here:
edd-utils
A set of utilities for working with Experiment Data Depot instances from python and the command line.
emll
some code for linlog model simulation
emll-docker
Docker recipe for pymc3, theano, and the emll library
escher
Build, view, share, and embed pathway maps.
fairseq
Facebook AI Research Sequence-to-Sequence Toolkit written in Python.
fairseq-uniparc
Fairseq modeling for protein function prediction from primary sequence
faiss
A library for efficient similarity search and clustering of dense vectors.
ffx
Fast Function Extraction
fragdecomp
Methods for bayesian regression of molecules from their carbon fragments
fuel-d-nrel-index-calculations
Calculation of the NREL index for Fuel D blends
gapn-engineering
Using language models to engineer the gapn enzyme to switch from the cofactor NADPH to NADH.
gnn-codecamp
Demonstrate training a GNN for molecular property prediction
hyperas
Keras + Hyperopt: A very simple wrapper for convenient hyperparameter optimization
hyperopt
Distributed Asynchronous Hyperparameter Optimization in Python
ipopt-feedstock
A conda-smithy repository for ipopt.
keras
Deep Learning for humans
keras-neural-graph-fingerprint
Keras implementation of Neural Graph Fingerprints as proposed by Duvenaud et al., 2015
latex-box
Lightweight Toolbox for LaTeX - New Official repository
levanstjohn-wedding
A website to host information on our upcoming wedding in the nerdiest way possible
manuscript_feedstock
Reproducible manuscript builds to DOC and PDF via pandoc and docker
matplotlib
matplotlib: plotting with Python
mumps-feedstock
A conda-smithy repository for mumps.
nvidia-faiss
dockerfile and environment for a cuda / conda based faiss image
old-github-pages-site
Peter's github page
opencobra.github.io
optlang
optlang - sympy based mathematical programming language
opv_ml_models
Python scripts and resulting trained models for optoelectronic property predictions
pandas
Flexible and powerful data analysis / manipulation library for Python, providing labeled data structures similar to R data.frame objects, statistical functions, and much more
pandoc-docker
Docker container for Pandoc with Latex tools
pmi_regression
React
A declarative, efficient, and flexible JavaScript library for building user interfaces.
🖖 Vue.js is a progressive, incrementally-adoptable JavaScript framework for building UI on the web.
Typescript
TypeScript is a superset of JavaScript that compiles to clean JavaScript output.
An Open Source Machine Learning Framework for Everyone
Django
The Web framework for perfectionists with deadlines.
Laravel
A PHP framework for web artisans
Bring data to life with SVG, Canvas and HTML. 📊📈🎉
JavaScript (JS) is a lightweight interpreted programming language with first-class functions.
Some thing interesting about web. New door for the world.
A server is a program made to process requests and deliver data to clients.
Machine learning is a way of modeling and interpreting data that allows a piece of software to respond intelligently.
Some thing interesting about visualization, use data art
Some thing interesting about game, make everyone happy.
Facebook
We are working to build community through open source technology. NB: members must have two-factor auth.
Microsoft
Open source projects and samples from Microsoft.
Google
Google ❤️ Open Source for everyone.
Alibaba
Alibaba Open Source for everyone
D3
Data-Driven Documents codes.
Tencent
China tencent open source team.
