tuanle618

tuanle618's Stars

• pytorch/pytorch

  Tensors and Dynamic neural networks in Python with strong GPU acceleration

  Language:Python85.6k1.8k47.9k23k

• pyg-team/pytorch_geometric

  Graph Neural Network Library for PyTorch

  Language:Python21.7k2543.6k3.7k

• awesome-mlss/awesome-mlss

  🤖 Machine Learning Summer School deadlines

  Language:HTML2.7k24552299

• PaddlePaddle/PaddleHelix

  Bio-Computing Platform Featuring Large-Scale Representation Learning and Multi-Task Deep Learning “螺旋桨”生物计算工具集

  Language:Python1k27123228

• e3nn/e3nn

  A modular framework for neural networks with Euclidean symmetry

  Language:Python1k18158149

• neurreps/awesome-neural-geometry

  A curated collection of resources and research related to the geometry of representations in the brain, deep networks, and beyond

  93629162

• atomistic-machine-learning/schnetpack

  SchNetPack - Deep Neural Networks for Atomistic Systems

  Language:Python80632254217

• pymanopt/pymanopt

  Python toolbox for optimization on Riemannian manifolds with support for automatic differentiation

  Language:Python78431121150

• lezcano/geotorch

  Constrained optimization toolkit for PyTorch

  Language:Python66393635

• arneschneuing/DiffSBDD

  A Euclidean diffusion model for structure-based drug design.

  Language:Python372144483

• maabuu/posebusters

  Plausibility checks for generated molecule poses.

  Language:Python23732014

• learningmatter-mit/geom

  GEOM: Energy-annotated molecular conformations

  Language:Jupyter Notebook205101327

• noegroup/bgflow

  Boltzmann Generators and Normalizing Flows in PyTorch

  Language:Jupyter Notebook15552438

• bayer-science-for-a-better-life/Img2Mol

  Language:Jupyter Notebook11391241

• bayer-science-for-a-better-life/phc-gnn

  Implementation of the Paper: "Parameterized Hypercomplex Graph Neural Networks for Graph Classification" by Tuan Le, Marco Bertolini, Frank Noé and Djork-Arné Clevert

  Language:Python31786

• bayer-science-for-a-better-life/neuraldecipher

  Implementation of the paper "Neuraldecipher - Reverse-engineering extended-connectivity fingerprints (ECFPs) to their molecular structures" by Tuan Le, Robin Winter, Frank Noé and Djork-Arné Clevert

  Language:Python26729

• Bayer-Group/pado

  PAthological Data Obsession - cloud native digital pathology datasets

  Language:Python184232

• Bayer-Group/eqgat

  Research repository for the proposed equivariant graph attention network that operates on large biomolecules proposed by Le et al. (2022)

  Language:Python17500

• Bayer-Group/giae

  Implementation of the Paper "Unsupervised Learning of Group Invariant and Equivariant Representations" presented at NeurIPS 2022.

  Language:Jupyter Notebook7312

• ap--/leave-org-keep-contributions

  When you leave a GitHub organisation and want to make sure to keep your contributions

  Language:Python2100