RobertCsordas / molecule_genLinks
Implementation of "Learning Deep Generative Models"
☆12Updated 6 years ago
Alternatives and similar repositories for molecule_gen
Users that are interested in molecule_gen are comparing it to the libraries listed below
Sorting:
- ☆58Updated 4 years ago
- Efficient Learning of Non-Autoregressive Graph Variational Autoencoders for Molecular Graph Generation☆41Updated 5 years ago
- Learning Multimodal Graph-to-Graph Translation for Molecular Optimization (ICLR 2019)☆149Updated 6 years ago
- Pytorch reimplementation of Molecule Attention Transformer, which uses a transformer to tackle the graph-like structure of molecules☆58Updated 5 years ago
- GraphNVP: An Invertible Flow Model for Generating Molecular Graphs☆96Updated 3 years ago
- Pytroch implementation of MolGAN: An implicit generative model for small molecular graphs (https://arxiv.org/abs/1805.11973)☆174Updated 7 years ago
- [ICLR 2022] The implementation for the paper "Equivariant Graph Mechanics Networks with Constraints".☆63Updated last year
- OTGNN code☆56Updated 5 years ago
- Code for "Molecular Hypergraph Grammar with Its Application to Molecular Optimization"☆39Updated last year
- Sample code for Constrained Graph Variational Autoencoders☆240Updated 2 years ago
- ☆45Updated 8 years ago
- Hierarchical Inter-Message Passing for Learning on Molecular Graphs☆80Updated 4 years ago
- Low Rank Global Attention for Graph Neural Networks☆12Updated 5 years ago
- An End-to-End Framework for Molecular Conformation Generation via Bilevel Programming (ICML'21)☆51Updated 4 years ago
- Implementation of Learning Gradient Fields for Molecular Conformation Generation (ICML 2021).☆171Updated 4 years ago
- A PyTorch Implementation of "Optimization of Molecules via Deep Reinforcement Learning".☆80Updated 2 years ago
- Implementation of the paper - Automatic chemical design using a data-driven continuous representation of molecules☆47Updated 4 years ago
- Code and data for "NeVAE: A Deep Generative Model for Molecular Graphs", AAAI 2019☆56Updated 6 years ago
- ☆59Updated 7 years ago
- PyTorch implementation of MolGAN: MolGAN: An implicit generative model for small molecular graphs.☆62Updated 4 years ago
- Research repo for AI aided drug discovery, de novo drug development and related topics☆37Updated 4 years ago
- Implementation of Denoising Diffusion for protein design, but using the new Equiformer (successor to SE3 Transformers) with some addition…☆57Updated 3 years ago
- Code for paper "TrimNet: learning molecular representation from triplet messages for biomedicine "☆57Updated 2 years ago
- Code for the paper "A Deep Generative Model for Fragment-Based Molecule Generation" (AISTATS 2020)☆67Updated 3 years ago
- RL-GraphINVENT is a platform for graph-based targeted molecular generation using graph neural networks and reinforcement learning. RL-Gra…☆78Updated 2 years ago
- [ICLR 2022] Data-Efficient Graph Grammar Learning for Molecular Generation☆97Updated 2 years ago
- MoFlow: an invertible flow model for generating molecular graphs☆146Updated 2 years ago
- This repository contains PyTorch implementation of the following paper: "Order Matters: Probabilistic Modeling of Node Sequence for Graph…☆29Updated 7 months ago
- Code of our IJCAI2021 paper: "Learning Attributed Graph Representation with Communicative Message Passing Transformer"☆40Updated 3 years ago
- Implementation of Geometric Vector Perceptron, a simple circuit for 3d rotation equivariance for learning over large biomolecules, in Pyt…☆76Updated 4 years ago