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Senior Capstone Project: Graph-Based Product Recommendation

Jupyter Notebook 44 12 Updated Mar 15, 2021

Resource scheduling and cluster management for AI

JavaScript 2,666 547 Updated Jun 6, 2024

Working with molecular structures in pandas DataFrames

Python 731 119 Updated Aug 1, 2024

Therapeutics Commons (TDC): Multimodal Foundation for Therapeutic Science

Jupyter Notebook 1,123 196 Updated Jul 13, 2025

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 46,040 18,695 Updated Jul 19, 2025

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

Python 2,014 406 Updated May 6, 2025

Official Python client for accessing ChEMBL API

Python 409 97 Updated Jan 26, 2025

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

Python 6,104 1,892 Updated Jul 16, 2025

Topic Modelling for Humans

Python 16,106 4,397 Updated Jun 10, 2025

Python interface to Google word2vec

C 2,604 630 Updated Apr 6, 2023

Python SDK for Milvus Vector Database

Python 1,224 365 Updated Jul 18, 2025

StellarGraph - Machine Learning on Graphs

Python 3,019 438 Updated Apr 10, 2024

Repository for benchmarking graph neural networks (JMLR 2023)

Jupyter Notebook 2,607 457 Updated Jun 22, 2023

Hierarchical Generation of Molecular Graphs using Structural Motifs

Python 403 114 Updated Jun 28, 2022

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

Python 527 196 Updated Dec 1, 2022

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

Go 36,065 3,307 Updated Jul 19, 2025

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

C++ 206 145 Updated Jul 20, 2025

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

Python 1,710 557 Updated Jul 19, 2025

DeepModeling community content

88 23 Updated Jun 12, 2025
点击 这是indexloc提供的php浏览器服务,不要输入任何密码和下载