jrwnter / pigvaeLinks
Implementation of the Paper "Permutation-Invariant Variational Autoencoder for Graph-Level Representation Learning" by Robin Winter, Frank Noe and Djork-Arne Clevert.
☆42Updated 2 years ago
Alternatives and similar repositories for pigvae
Users that are interested in pigvae are comparing it to the libraries listed below
Sorting:
- SignNet and BasisNet☆101Updated 2 years ago
- Equivariant Subgraph Aggregation Networks (ICLR 2022 Spotlight)☆89Updated 2 years ago
- Official repository for the paper "On Evaluation Metrics for Graph Generative Models"☆25Updated 3 years ago
- Work on designing a graph co-attention algorithm.☆18Updated 2 years ago
- ☆56Updated 4 years ago
- Pre-training Molecular Graph Representation with 3D Geometry, ICLR'22 (https://openreview.net/forum?id=xQUe1pOKPam)☆197Updated 2 years ago
- MiDi: Mixed Graph and 3D Denoising Diffusion for Molecule Generation☆105Updated last year
- Making self-supervised learning work on molecules by using their 3D geometry to pre-train GNNs. Implemented in DGL and Pytorch Geometric.☆169Updated last year
- MoFlow: an invertible flow model for generating molecular graphs☆143Updated 2 years ago
- Implementation for NeurIPS 2023 paper "Equivariant Flow Matching with Hybrid Probability Transport for 3D Molecule Generation"☆37Updated last year
- [ICLR 2022] The implementation for the paper "Equivariant Graph Mechanics Networks with Constraints".☆62Updated last year
- Conditional Diffusion Based on Discrete Graph Structures for Molecular Graph Generation☆34Updated 2 years ago
- Code and dataset to test empirically the expressive power of graph pooling operators presented as presented at NeurIPS 2023☆36Updated last year
- Official implementation for the paper: Permutation Invariant Graph Generation via Score-Based Generative Modeling☆111Updated 2 years ago
- Official Code Repository for the paper "Score-based Generative Modeling of Graphs via the System of Stochastic Differential Equations" (I…☆173Updated last year
- ☆58Updated 3 years ago
- Edge-Augmented Graph Transformer☆78Updated last year
- Geometric Generative Model Tutorial at LoG 2024☆27Updated 9 months ago
- Implementation of Learning Gradient Fields for Molecular Conformation Generation (ICML 2021).☆169Updated 3 years ago
- Implementation of Directional Graph Networks in PyTorch and DGL☆118Updated 4 years ago
- Official code repository for the paper Exploring Chemical Space with Score-based Out-of-distribution Generation (ICML 2023)☆39Updated last year
- Long Range Graph Benchmark, NeurIPS 2022 Track on D&B☆158Updated last year
- Official implementation of pre-training via denoising for TorchMD-NET☆96Updated 2 years ago
- PyTorch implementation of MolGAN: MolGAN: An implicit generative model for small molecular graphs.☆61Updated 4 years ago
- Implementation of GeoDiff: a Geometric Diffusion Model for Molecular Conformation Generation (ICLR 2022).☆381Updated 2 years ago
- Random walk unit with memory☆23Updated 11 months ago
- ☆45Updated 2 years ago
- OTGNN code☆55Updated 5 years ago
- ☆34Updated 3 years ago
- Hierarchical Inter-Message Passing for Learning on Molecular Graphs☆80Updated 3 years ago