Search Results for "atom 3d model"
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Showing 9 open source projects for "atom 3d model"
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Materials Discovery: GNoME
AI discovers 520000 stable inorganic crystal structures for research
...The project centers on Graph Networks for Materials Exploration (GNoME), a message-passing neural network architecture trained on density functional theory (DFT) data to predict material stability and energy formation. Using GNoME, DeepMind identified 381,000 new stable materials, later expanding the dataset to include over 520,000 materials within 1 meV/atom of the convex hull as of August 2024. The repository provides datasets, model definitions, and interactive Colabs for exploring these materials, computing decomposition energies, and visualizing chemical families. Additionally, it includes JAX-based implementations of GNoME and Nequip—the latter being used to train interatomic potentials for dynamic simulations. -
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VoxelMorph
Unsupervised Learning for Image Registration
VoxelMorph is an open-source deep learning framework designed for medical image registration, a process that aligns multiple medical scans into a common spatial coordinate system. Traditional image registration techniques typically rely on optimization procedures that must be executed separately for each pair of images, which can be computationally expensive and slow. VoxelMorph approaches the problem using neural networks that learn to predict deformation fields that transform one image so... -
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DeepSeed
Deep learning optimization library making distributed training easy
DeepSpeed is a deep learning optimization library that makes distributed training easy, efficient, and effective. DeepSpeed delivers extreme-scale model training for everyone, from data scientists training on massive supercomputers to those training on low-end clusters or even on a single GPU. Using current generation of GPU clusters with hundreds of devices, 3D parallelism of DeepSpeed can efficiently train deep learning models with trillions of parameters. With just a single GPU, ZeRO-Offload of DeepSpeed can train models with over 10B parameters, 10x bigger than the state of arts, democratizing multi-billion-parameter model training such that many deep learning scientists can explore bigger and better models. ... -
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PyG
Graph Neural Network Library for PyTorch
...In addition, it consists of easy-to-use mini-batch loaders for operating on many small and single giant graphs, multi GPU-support, DataPipe support, distributed graph learning via Quiver, a large number of common benchmark datasets (based on simple interfaces to create your own), the GraphGym experiment manager, and helpful transforms, both for learning on arbitrary graphs as well as on 3D meshes or point clouds. All it takes is 10-20 lines of code to get started with training a GNN model (see the next section for a quick tour). -
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5
hloc
Visual localization made easy with hloc
...We provide step-by-step guides to localize with Aachen, InLoc, and to generate reference poses for your own data using SfM. Just download the datasets and you're reading to go! The notebook pipeline_InLoc.ipynb shows the steps for localizing with InLoc. It's much simpler since a 3D SfM model is not needed. We show in pipeline_SfM.ipynb how to run 3D reconstruction for an unordered set of images. This generates reference poses, and a nice sparse 3D model suitable for localization with the same pipeline as Aachen. -
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MeshCNN in PyTorch
Convolutional Neural Network for 3D meshes in PyTorch
MeshCNN is a deep learning framework designed specifically for processing 3D triangular mesh data using convolutional neural networks. Unlike traditional CNNs that operate on images or voxel grids, MeshCNN performs convolution operations directly on the edges of mesh structures. This design allows the model to capture geometric relationships between mesh elements while preserving the underlying topology of 3D shapes. -
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Pytorch Points 3D
Pytorch framework for doing deep learning on point clouds
Torch Points 3D is a framework for developing and testing common deep learning models to solve tasks related to unstructured 3D spatial data i.e. Point Clouds. The framework currently integrates some of the best-published architectures and it integrates the most common public datasets for ease of reproducibility. It heavily relies on Pytorch Geometric and Facebook Hydra library thanks for the great work! -
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Keras TCN
Keras Temporal Convolutional Network
TCNs exhibit longer memory than recurrent architectures with the same capacity. Performs better than LSTM/GRU on a vast range of tasks (Seq. MNIST, Adding Problem, Copy Memory, Word-level PTB...). Parallelism (convolutional layers), flexible receptive field size (possible to specify how far the model can see), stable gradients (backpropagation through time, vanishing gradients). The usual way is to import the TCN layer and use it inside a Keras model. The receptive field is defined as the... -
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Five video classification methods
Code that accompanies my blog post outlining five video classification
Classifying video presents unique challenges for machine learning models. As I’ve covered in my previous posts, video has the added (and interesting) property of temporal features in addition to the spatial features present in 2D images. While this additional information provides us more to work with, it also requires different network architectures and, often, adds larger memory and computational demands.We won’t use any optical flow images. This reduces model complexity, training time, and... -
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