John Bradshaw (@john-bradshaw)
github

john-bradshaw

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Top repositories

1

molecule-chef

Code for our paper "A Model to Search for Synthesizable Molecules" (https://arxiv.org/abs/1906.05221)
Python
73
star
2

synthesis-dags

Code for our paper "Barking up the right tree: an approach to search over molecule synthesis DAGs"
Python
44
star
3

GNN

Graph neural networks
Python
20
star
4

electro

Core code for the paper "A Generative Model For Electron Paths" (https://openreview.net/forum?id=r1x4BnCqKX).
Jupyter Notebook
17
star
5

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/)
Jupyter Notebook
15
star
6

autoencoders

A collection of auto-encoders including VAEs
Jupyter Notebook
1
star
7

kriggie

Gaussian Processes in PyTorch
Python
1
star