Matthew Masters

Projects

Auto Encoding Molecular Conformations:
PyTorch implementation of molecular conformation autoencoder described in Winder 2021.

February 2021

The first automated machine learning tool specifically for graph data. Optimizes and ensembles several traditional and deep learning methods.

January 2021

Advent of Code 2020:
Daily programming challenges

December 2020

Rosalind:
Bioinformatics programming challenges

October 2020

Mechanism of Action Prediction:
Using gene expression and cell viability data, a deep neural network was used to predict drug MoA

September 2020

Wheat Head Image Detection:
Object detection pipelines built using FasterRCNN and EfficientDet deep neural networks

July 2020

Prostate Cancer Grade Assessment:
Deep learning system for detection and classification of prostate cancer

July 2020

Abstraction and Reasoning Corpus:
Domain-specific language and graph search to solve intelligence tasks

May 2020

RamaPlot:
Generate Ramachandran plots from PDB structures

April 2020

Molecular Property Prediction:
Using message passing neural networks to predict NMR scalar couplings

August 2019

DxViewer:
Web-based DX file viewer. Useful for visualizing densities.

January 2019

WATsite3.0:
Prediction and Thermodynamic Profiling of Hydration Sites

November 2018

Project Euler:
Solutions to mathematical challenges written in Python

October 2018

TrackML Particle Tracking:
Machine learning challenge to isolate particle tracks from CERN detectors

July 2018

Data Science Bowl 2018:
Mask R-CNN to perform instance segmentation from microscope images

April 2018

Publications

Elucidating the multiple roles of hydration for accurate protein-ligand binding prediction via deep learning,
Communications Chemistry

February 2020

Efficient and Accurate Hydration Site Profiling for Enclosed Binding Sites,
Journal of Chemical Information and Modeling

October 2018

Resume

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