HyTruongSon / MGVAELinks
Multiresolution Equivariant Graph Variational Autoencoder (MGVAE) https://arxiv.org/abs/2106.00967
☆23Updated 8 months ago
Alternatives and similar repositories for MGVAE
Users that are interested in MGVAE are comparing it to the libraries listed below
Sorting:
- A Group Symmetric Stochastic Differential Equation Model for Molecule Multi-modal Pretraining, ICML'23☆33Updated last year
- Reference implementation of "Ewald-based Long-Range Message Passing for Molecular Graphs" (ICML 2023)☆50Updated 2 years ago
- A DGL implementation of "Directional Message Passing for Molecular Graphs" (ICLR 2020).☆21Updated last year
- Heterogeneous Molecular Graph Neural Network☆28Updated 4 years ago
- Synthetic coordinates for GNNs, as proposed in "Directional Message Passing on Molecular Graphs via Synthetic Coordinates" (NeurIPS 2021)☆30Updated 2 years ago
- An End-to-End Framework for Molecular Conformation Generation via Bilevel Programming (ICML'21)☆51Updated 3 years ago
- Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)☆46Updated 3 years ago
- Deep Supervised Graph Partitioning Model☆14Updated 3 years ago
- ☆34Updated 5 months ago
- A light-weight PyTorch extension for equivariant deep learning☆17Updated 4 months ago
- Research repository for the proposed equivariant graph attention network that operates on large biomolecules proposed by Le et al. (2022)☆20Updated 2 years ago
- Public Implementation of ChIRo from "Learning 3D Representations of Molecular Chirality with Invariance to Bond Rotations"☆54Updated 3 years ago
- [ICLR 2022] The implementation for the paper "Equivariant Graph Mechanics Networks with Constraints".☆61Updated last year
- ☆25Updated 2 years ago
- Geometric super-resolution for molecular geometries☆41Updated 3 years ago
- Implementation of Learning Gradient Fields for Molecular Conformation Generation (ICML 2021).☆169Updated 3 years ago
- The source code of PGD-VAE☆12Updated 2 years ago
- ☆40Updated 3 years ago
- ☆54Updated 3 years ago
- Source code for "Molecular Mechanics-Driven Graph Neural Network with Multiplex Graph for Molecular Structures"☆73Updated last year
- cG-SchNet - a conditional generative neural network for 3d molecular structures☆61Updated 2 years ago
- [ICLR 2024] MARCEL: Machine Learning over Molecular Conformer Ensembles☆42Updated 2 years ago
- GemNet model in TensorFlow, as proposed in "GemNet: Universal Directional Graph Neural Networks for Molecules" (NeurIPS 2021)☆26Updated 2 years ago
- [TMLR 2023] Simulate time-integrated coarse-grained MD with multi-scale graph neural networks☆71Updated last year
- Generative model for molecular distance geometry☆39Updated 2 years ago
- ☆60Updated 3 years ago
- Official implementation of pre-training via denoising for TorchMD-NET☆92Updated 2 years ago
- ☆23Updated last year
- GraphNVP: An Invertible Flow Model for Generating Molecular Graphs☆93Updated 3 years ago
- [TMLR 2023] Training and simulating MD with ML force fields☆112Updated 8 months ago