john-bradshaw
Machine learning for molecules researcher. Formerly MIT, University of Cambridge, Max Planck Institute for Intelligent Systems.
@coleygroupUK
Pinned Repositories
autoencoders
A collection of auto-encoders including VAEs
electro
Core code for the paper "A Generative Model For Electron Paths" (https://openreview.net/forum?id=r1x4BnCqKX).
GNN
Graph neural networks
kriggie
Gaussian Processes in PyTorch
ml-in-bioinformatics-summer-school-2020
Tutorial for "Advances in machine learning for molecules" (for Summer School for Machine Learning in Bioinformatics, https://cs.hse.ru/ssml/)
molecule-chef
Code for our paper "A Model to Search for Synthesizable Molecules" (https://arxiv.org/abs/1906.05221)
synthesis-dags
Code for our paper "Barking up the right tree: an approach to search over molecule synthesis DAGs"
john-bradshaw's Repositories
john-bradshaw/molecule-chef
Code for our paper "A Model to Search for Synthesizable Molecules" (https://arxiv.org/abs/1906.05221)
john-bradshaw/synthesis-dags
Code for our paper "Barking up the right tree: an approach to search over molecule synthesis DAGs"
john-bradshaw/GNN
Graph neural networks
john-bradshaw/electro
Core code for the paper "A Generative Model For Electron Paths" (https://openreview.net/forum?id=r1x4BnCqKX).
john-bradshaw/ml-in-bioinformatics-summer-school-2020
Tutorial for "Advances in machine learning for molecules" (for Summer School for Machine Learning in Bioinformatics, https://cs.hse.ru/ssml/)
john-bradshaw/autoencoders
A collection of auto-encoders including VAEs
john-bradshaw/kriggie
Gaussian Processes in PyTorch
john-bradshaw/bibtexParseJs
A JavaScript library that parses BibTeX parser.
john-bradshaw/GPflow
Gaussian processes in TensorFlow
john-bradshaw/GraphVAE
My implementation of GraphVAE (https://link.springer.com/chapter/10.1007/978-3-030-01418-6_41)
john-bradshaw/john-bradshaw
John Bradshaw
john-bradshaw/maml-sinusoids
Example of MAML algorithm on sinusoid functions (coded in Jax).
john-bradshaw/tdash
General purpose "functional" utilities for python. Inspired by underscore and lodash