Milvus is a high-performance, cloud-native vector database built for scalable vector ANN search

An electronic structure package based on either plane wave basis or numerical atomic orbitals.

Topic Modelling for Humans

Flexible and powerful data analysis / manipulation library for Python, providing labeled data structures similar to R data.frame objects, statistical functions, and much more

Python SDK for Milvus Vector Database

Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology

A deep learning package for many-body potential energy representation and molecular dynamics

Therapeutics Commons (TDC): Multimodal Foundation for Therapeutic Science

DeepModeling community content

Benchmark datasets, data loaders, and evaluators for graph machine learning

Official Python client for accessing ChEMBL API

Working with molecular structures in pandas DataFrames

Resource scheduling and cluster management for AI

StellarGraph - Machine Learning on Graphs

Repository for benchmarking graph neural networks (JMLR 2023)

Python interface to Google word2vec

Junction Tree Variational Autoencoder for Molecular Graph Generation (ICML 2018)

Hierarchical Generation of Molecular Graphs using Structural Motifs

Senior Capstone Project: Graph-Based Product Recommendation