yabozkurt / gmvae
Repository for 'Interpretable embeddings from molecular simulations using gaussian mixture variational autoencoders'
☆20Updated 5 years ago
Alternatives and similar repositories for gmvae:
Users that are interested in gmvae are comparing it to the libraries listed below
- Uncertainty quantification of molecular property prediction using Bayesian deep learning☆44Updated 6 years ago
- ☆30Updated 2 years ago
- Bayesian MPNNs for Molecular Property Prediction☆27Updated 4 years ago
- Pytorch implementation of "Inferring Causal Dependencies between Chaotic Dynamical Systems from Sporadic Time Series"☆9Updated 4 years ago
- Implementation of the MIWAE method for deep generative modelling of incomplete data sets.☆37Updated last year
- ☆18Updated 3 years ago
- Heteroscedastic Bayesian Optimisation in Numpy☆21Updated 2 years ago
- A brief tutorial on the Wasserstein auto-encoder☆83Updated 6 years ago
- A toy example of VAE-regression network☆72Updated 4 years ago
- Official implementation of Joint Multidimensional Scaling☆22Updated last year
- Bayesian optimization with conformal coverage guarantees☆27Updated 2 years ago
- ☆19Updated 4 years ago
- Official repository for the paper "Improving black-box optimization in VAE latent space using decoder uncertainty" (Pascal Notin, José Mi…☆31Updated last year
- Variational Autoencoder for Dimensionality Reduction of Time-Series☆186Updated 2 years ago
- A PyTorch Implementation of VaDE(https://arxiv.org/pdf/1611.05148.pdf)☆37Updated 4 years ago
- Conformal Histogram Regression: efficient conformity scores for non-parametric regression problems☆22Updated 3 years ago
- ☆28Updated 7 months ago
- Implementation of the Latent CCM paper☆14Updated 9 months ago
- PyTorch implementation of "MIDA: Multiple Imputation using Denoising Autoencoders"☆28Updated 6 years ago
- Hierarchical Embedding for Drugs☆16Updated 11 months ago
- Code corresponding to the paper Diffusion Earth Mover's Distance and Distribution Embeddings☆35Updated 3 months ago
- An encoder-decoder framework for learning from incomplete data☆46Updated last year
- Materials for KDD2023 tutorial: Knowledge-augmented Graph Machine Learning for Drug Discovery: from Precision to Interpretability☆21Updated last year
- ☆10Updated 4 years ago
- Linxiao Yang, Ngai-Man Cheung, Jiaying Li, and Jun Fang, "Deep Clustering by Gaussian Mixture Variational Autoencoders with Graph Embeddi…☆52Updated 4 years ago
- Various code/notebooks to benchmark different ways we could estimate uncertainty in ML predictions.☆41Updated 3 years ago
- Efficient Learning of Non-Autoregressive Graph Variational Autoencoders for Molecular Graph Generation☆40Updated 4 years ago
- This project provides Slow Feature Analysis as a scikit-learn-style package.☆39Updated last year
- TensorFlow implementation for the GP-VAE model described in https://arxiv.org/abs/1907.04155☆135Updated 2 years ago
- ☆90Updated 2 years ago