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Starred repositories
Approximate Nearest Neighbors in C++/Python optimized for memory usage and loading/saving to disk
Project code for BioHackathon Europe 2023.
Using MASST or fastMASST, adding metadata onto a tree ontology for microbes
Python package for hypergraph analysis and visualization.
Systems design is the process of defining the architecture, modules, interfaces, and data for a system to satisfy specified requirements. Systems design could be seen as the application of systems …
A curated list of Hypergraph Learning, Hypergraph Theory, Hypergraph Dataset and Hypergraph Tool.
List of Molecular and Material design using Generative AI and Deep Learning
A comprehensive repository dedicated to the collection and exploration of studies utilizing Large Language Models for molecular design, protein research, and material science.
Scalable and self-optimizing processing workflow for untargeted LC-MS
A library for efficient similarity search and clustering of dense vectors.
Python library for processing (tandem) mass spectrometry data and for computing spectral similarities.
Visualize hnsw, faiss and other anns index
Modular-Programming-with-Python Code
lwreg is a lightweight registration system for chemical registration and data storage.
NaPLeS - Natural Product Likeness Scorer Web Application
Benchmarks of approximate nearest neighbor libraries in Python
Ms2 basEd saMple vectOrization (memo) package
This projects utilises vector similarity search from Faiss, in conjunction with chemical fingerprinting to build a scalabale similarity search architecture for compounds/molecules.