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  • Peking University
  • Beijing

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A fast, distributed, high performance gradient boosting (GBT, GBDT, GBRT, GBM or MART) framework based on decision tree algorithms, used for ranking, classification and many other machine learning …

C++ 16,818 3,838 Updated Dec 26, 2024

Repo for the paper publishing the superconductor database with 3D crystal structures.

Jupyter Notebook 16 5 Updated Nov 21, 2024

Molecular Relaxation with Reverse Diffusion

Jupyter Notebook 17 3 Updated Oct 28, 2024

cuML - RAPIDS Machine Learning Library

C++ 4,307 539 Updated Dec 24, 2024

GPU Accelerated t-SNE for CUDA with Python bindings

Cuda 1,821 130 Updated Oct 2, 2024

Pytorch implementation for t-SNE with cuda to accelerate

Python 329 60 Updated Mar 29, 2023

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

Python 5,617 1,706 Updated Dec 24, 2024

Graph deep learning library for materials

Python 295 67 Updated Dec 24, 2024
Jupyter Notebook 6 3 Updated Sep 7, 2022
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