matthewtoholland
DPhil student in computational medicinal chemistry at the University of Oxford. BA & MSci in Natural Sciences from the University of Cambridge
University of OxfordOxford
matthewtoholland's Stars
hesther/espsim
Scoring of shape and ESP similarity with RDKit
postera-ai/COVID_moonshot_submissions
Data from the COVID Moonshot project
rxn4chemistry/rxn_yields
Code complementing our manuscript on the prediction of chemical reaction yields (https://iopscience.iop.org/article/10.1088/2632-2153/abc81d) and data augmentation strategies (https://doi.org/10.26434/chemrxiv.13286741).
thud/caffeine
CLI utility for quickly interacting with the Codeforces API written in rust.
duartegroup/autodE
automated reaction profile generation
thud/codeforces-api
A rust crate implementation of the Codeforces web API + testcase input fetcher.
MolecularAI/aizynthfinder
A tool for retrosynthetic planning
thud/gravy
Graph Visualisation tool written in TS with Svelte.