Rocío Mercado Oropeza's starred repositories
pytorch_geometric
Graph Neural Network Library for PyTorch
graph-based-deep-learning-literature
links to conference publications in graph-based deep learning
pytorch_geometric_temporal
PyTorch Geometric Temporal: Spatiotemporal Signal Processing with Neural Machine Learning Models (CIKM 2021)
benchmarking-gnns
Repository for benchmarking graph neural networks
pytorch-GAT
My implementation of the original GAT paper (Veličković et al.). I've additionally included the playground.py file for visualizing the Cora dataset, GAT embeddings, an attention mechanism, and entropy histograms. I've supported both Cora (transductive) and PPI (inductive) examples!
torchtyping
Type annotations and dynamic checking for a tensor's shape, dtype, names, etc.
fourier-feature-networks
Fourier Features Let Networks Learn High Frequency Functions in Low Dimensional Domains
noah-research
Noah Research
invertible-resnet
Official Code for Invertible Residual Networks
evidential-deep-learning
Learn fast, scalable, and calibrated measures of uncertainty using neural networks!
alphafold_pytorch
An implementation of the DeepMind's AlphaFold based on PyTorch for research
NeuralForceField
Neural Network Force Field based on PyTorch
pyg_autoscale
Implementation of "GNNAutoScale: Scalable and Expressive Graph Neural Networks via Historical Embeddings" in PyTorch
DECIMER-Image-Segmentation
Chemical structure detection and segmentation tool for Journal articles.
RL-GraphINVENT
RL-GraphINVENT is a platform for graph-based targeted molecular generation using graph neural networks and reinforcement learning. RL-GraphINVENT uses a Gated Graph Neural Network -based model fine-tuned using reinforcement learning to probabilistically generate new molecules with desired property profiles.
synthesis-dags
Code for our paper "Barking up the right tree: an approach to search over molecule synthesis DAGs"