Hanjun-Dai / sdvae

Related projects ⓘ

Alternatives and complementary repositories for sdvae

• mkusner / grammarVAE
  Code for the "Grammar Variational Autoencoder" https://arxiv.org/abs/1703.01925
  ☆269Updated 4 years ago
• wengong-jin / iclr19-graph2graph
  Learning Multimodal Graph-to-Graph Translation for Molecular Optimization (ICLR 2019)
  ☆148Updated 5 years ago
• Networks-Learning / nevae
  Code and data for "NeVAE: A Deep Generative Model for Molecular Graphs", AAAI 2019
  ☆54Updated 5 years ago
• nyu-dl / conditional-molecular-design-ssvae
  ☆49Updated 6 months ago
• facebookresearch / protein-ebm
  Energy-based models for atomic-resolution protein conformations
  ☆95Updated 2 years ago
• pfnet-research / graph-nvp
  GraphNVP: An Invertible Flow Model for Generating Molecular Graphs
  ☆91Updated 2 years ago
• wengong-jin / chemprop
  Chemical Property Prediction with Graph Convolutional Networks
  ☆60Updated 4 years ago
• wengong-jin / nips17-rexgen
  Predicting Organic Reaction Outcomes with Weisfeiler-Lehman Network (NIPS 2017)
  ☆145Updated 6 years ago
• SeongokRyu / Molecular-GAT
  Molecular-GAT
  ☆21Updated 6 years ago
• yangkevin2 / coronavirus_data
  ☆81Updated last year
• benatorc / PA-Graph-Transformer
  ☆42Updated last year
• nyu-dl / dl4chem-geometry
  ☆62Updated 5 years ago
• 99andBeyond / Apollo1060
  Data and models (with prediction scripts) used in publications related to Apollo1060 platform
  ☆64Updated 5 months ago
• ibm-research-tokyo / graph_grammar
  Code for "Molecular Hypergraph Grammar with Its Application to Molecular Optimization"
  ☆38Updated 4 years ago
• debbiemarkslab / NEMO
  Learning protein structure with a differentiable simulator
  ☆27Updated 5 years ago
• microsoft / constrained-graph-variational-autoencoder
  Sample code for Constrained Graph Variational Autoencoders
  ☆230Updated last year
• lilleswing / jt-vae
  Junction Tree Variational AutoEncoder Implementation Attempt
  ☆10Updated 6 years ago
• pfnet-research / hierarchical-molecular-learning
  Implementation of "Semi-supervised learning of hierarchical representations of molecules using neural message passing" (arXiv:1711.10168)
  ☆14Updated 6 years ago
• yongqyu / MolGAN-pytorch
  Pytroch implementation of MolGAN: An implicit generative model for small molecular graphs (https://arxiv.org/abs/1805.11973)
  ☆165Updated 6 years ago
• SeongokRyu / augmented-GCN
  ☆59Updated 6 years ago
• rusty1s / himp-gnn
  Hierarchical Inter-Message Passing for Learning on Molecular Graphs
  ☆77Updated 2 years ago
• geyang / grammar_variational_autoencoder
  pytorch implementation of grammar variational autoencoder
  ☆60Updated 6 years ago
• john-bradshaw / synthesis-dags
  Code for our paper "Barking up the right tree: an approach to search over molecule synthesis DAGs"
  ☆45Updated 6 months ago
• HIPS / molecule-autoencoder
  A project to enable optimization of molecules by transforming them to and from a continuous representation.
  ☆154Updated 7 years ago
• Hanjun-Dai / GLN
  Implementation of Retrosynthesis Prediction with Conditional Graph Logic Network
  ☆118Updated last year
• kevinid / molecule_generator
  Code for "Multi-Objective De Novo Drug Design with Conditional Graph Generative Model" (https://arxiv.org/abs/1801.07299)
  ☆135Updated 5 years ago
• wengong-jin / multiobj-rationale
  Multi-Objective Molecule Generation using Interpretable Substructures (ICML 2020)
  ☆140Updated 2 years ago
• XericZephyr / seq2seq-fingerprint
  Official Implementation for "Seq2seq Fingerprint: An Unsupervised Deep Molecular Embedding for Drug Discovery".
  ☆40Updated 6 years ago