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Peking University
- Beijing
Stars
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 …
Repo for the paper publishing the superconductor database with 3D crystal structures.
Molecular Relaxation with Reverse Diffusion
GPU Accelerated t-SNE for CUDA with Python bindings
Pytorch implementation for t-SNE with cuda to accelerate
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
Graph deep learning library for materials