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

JavaScript 187 29 Updated Sep 13, 2023

A single model for all your molecular design tasks

Python 73 7 Updated Jul 30, 2024

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

JavaScript 5 Updated Mar 18, 2024

Learning atom mappings in chemical reactions through deep graph matching

Python 1 2 Updated Apr 30, 2024

SMARTS sanitization

Jupyter Notebook 22 3 Updated Mar 2, 2024

Reaction Decoder Tool (RDT) - Atom Atom Mapping Tool

Java 76 24 Updated Jan 11, 2022
Jupyter Notebook 3 2 Updated Jul 26, 2021

🔎 All-in-one Quick Look plugin

Swift 417 16 Updated Jan 20, 2024

Software package for computer aided synthesis planning

Python 200 46 Updated Nov 27, 2023

Bridge the gap between SBML data and Neo4j

Python 4 Updated Jun 24, 2024

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

Jupyter Notebook 174 30 Updated Apr 11, 2023

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

Go 1,059 50 Updated Jul 18, 2024

Python dependency checker

Python 187 13 Updated Jul 24, 2024

♾ A Graph Visualization Framework in JavaScript.

TypeScript 10,977 1,297 Updated Aug 16, 2024

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

40,790 2,287 Updated Aug 15, 2024

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

Python 63 7 Updated Jun 25, 2024

Suite of tools that work on rpSBML format

HTML 7 2 Updated Mar 5, 2024

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

Python 4 Updated Apr 22, 2022

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

Objective-C 1,437 92 Updated Jul 29, 2024

Package for Retrosynthetic Planning

Python 105 14 Updated Aug 14, 2024

Benchmarks for generative chemistry

Python 397 83 Updated Feb 11, 2024

A Zsh theme

Shell 45,096 2,144 Updated Aug 17, 2024

Color schemes for default macOS Terminal.app

Swift 5,928 886 Updated Jun 18, 2024

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

Python 2,049 390 Updated Aug 17, 2024

Checklist version of Clean install your Mac without hesitation

78 13 Updated Nov 19, 2023

@holman does dotfiles

Shell 7,269 3,358 Updated Aug 3, 2024
Python 18 3 Updated Jul 18, 2024

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 279 65 Updated Jul 18, 2024

Python package to atom map, correct and suggest enzymatic reactions

Python 34 2 Updated Apr 11, 2024
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