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. -
2
eos
A lightweight 3D Morphable Face Model library in modern C++
eos is a lightweight 3D Morphable Face Model fitting library that provides basic functionality to use face models, as well as camera and shape fitting functionality. It's written in modern C++11/14. MorphableModel and PcaModel classes to represent 3DMMs, with basic operations like draw_sample(). Supports the Surrey Face Model (SFM), 4D Face Model (4DFM), Basel Face Model (BFM) 2009 and 2017, and the Liverpool-York Head Model (LYHM) out-of-the-box. -
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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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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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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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TenorSpace.js
Neural network 3D visualization framework
TensorSpace is a neural network 3D visualization framework built using TensorFlow.js, Three.js and Tween.js. TensorSpace provides Keras-like APIs to build deep learning layers, load pre-trained models, and generate a 3D visualization in the browser. From TensorSpace, it is intuitive to learn what the model structure is, how the model is trained and how the model predicts the results based on the intermediate information. -
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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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