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Computing Elementary Flux Modes (EFM) with Answer Set Programming (ASP)
Adds or removes hydrogen atoms to achieve the appropriate molecular protonation state for a user-specified pH range
My obsidian templates. Particularly useful for academic research.
SVG icons for popular brands
Autocomplete your obsidian notes with AI, including ChatGPT, through a copilot-like interface.
Simplify tagging in Obsidian. Instantly analyze and tag your document with one click for efficient note organization.
Chat with your notes & see links to related content with AI embeddings. Use local models or 100+ via APIs like Claude, Gemini, ChatGPT & Llama 3
Lecture notes of Professor Stéphane Mallat - Collège de France - Paris
Implementation of the paper "Neuraldecipher - Reverse-engineering extended-connectivity fingerprints (ECFPs) to their molecular structures" by Tuan Le, Robin Winter, Frank Noé and Djork-Arné Clevert
My notes / works on deep learning from Coursera
A collection of Jupyter Notebooks that are designed to teach life science students about deep learning.
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
Reaction Decoder Tool (RDT) - Atom Atom Mapping Tool
Software package for computer aided synthesis planning
SMILES Pair Encoding: A data-driven substructure representation of chemicals
Cross-platform application for easy encrypted file, folder, and text sharing between devices.
♾ 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)