A simple Node.js tool for extracting wpress archive files generated by the All-in-one-Wp-Migration Wordpress plugin.

A single model for all your molecular design tasks

DetSpace: A web server for engineering detectable pathways for bio-based production

Learning atom mappings in chemical reactions through deep graph matching

SMARTS sanitization

Reaction Decoder Tool (RDT) - Atom Atom Mapping Tool

🔎 All-in-one Quick Look plugin

Software package for computer aided synthesis planning

Bridge the gap between SBML data and Neo4j

SMILES Pair Encoding: A data-driven substructure representation of chemicals

Cross-platform application for easy encrypted file, folder, and text sharing between devices.

Python dependency checker

♾ A Graph Visualization Framework in JavaScript.

🚀 Awesome list of open source applications for macOS. https://t.me/s/opensourcemacosapps

Chemical reaction data & benchmarks. Extraction and cleaning of data from Open Reaction Database (ORD)

Suite of tools that work on rpSBML format

Repository of the InChI Resolver project - linking InChI related data and resources on the Internet

A command line tool to manipulate tags on Mac OS X files, and to query for files with those tags.

Package for Retrosynthetic Planning

Benchmarks for generative chemistry

A Zsh theme

Color schemes for default macOS Terminal.app

Torchmetrics - Machine learning metrics for distributed, scalable PyTorch applications.

Checklist version of Clean install your Mac without hesitation

@holman does dotfiles

RXNMapper: Unsupervised attention-guided atom-mapping. Code complementing our Science Advances publication on "Extraction of organic chemistry grammar from unsupervised learning of chemical reactio…

Python package to atom map, correct and suggest enzymatic reactions