Skip to content
View matthewtoholland's full-sized avatar

Highlights

  • Pro

Organizations

@duartegroup @BrennanGroup

Block or report matthewtoholland

Block user

Prevent this user from interacting with your repositories and sending you notifications. Learn more about blocking users.

You must be logged in to block users.

Please don't include any personal information such as legal names or email addresses. Maximum 100 characters, markdown supported. This note will be visible to only you.
Report abuse

Contact GitHub support about this user’s behavior. Learn more about reporting abuse.

Report abuse
Showing results

Scoring of shape and ESP similarity with RDKit

Jupyter Notebook 209 48 Updated Aug 20, 2023

Data from the COVID Moonshot project

HTML 19 10 Updated Nov 9, 2023

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/10.26…

Jupyter Notebook 115 25 Updated Aug 5, 2022

CLI utility for quickly interacting with the Codeforces API written in rust.

Rust 3 Updated Aug 3, 2021

automated reaction profile generation

Python 174 56 Updated Feb 17, 2025

A rust crate implementation of the Codeforces web API + testcase input fetcher.

Rust 1 Updated Mar 2, 2021

A tool for retrosynthetic planning

Python 628 138 Updated Jan 8, 2025

Graph Visualisation tool written in TS with Svelte.

TypeScript 35 2 Updated Sep 24, 2024
Showing results