Alternatives and similar repositories for MolGAN:

Users that are interested in MolGAN are comparing it to the libraries listed below

• yongqyu / MolGAN-pytorch
  Pytroch implementation of MolGAN: An implicit generative model for small molecular graphs (https://arxiv.org/abs/1805.11973)
  ☆168Updated 6 years ago
• wengong-jin / iclr19-graph2graph
  Learning Multimodal Graph-to-Graph Translation for Molecular Optimization (ICLR 2019)
  ☆150Updated 6 years ago
• wengong-jin / hgraph2graph
  Hierarchical Generation of Molecular Graphs using Structural Motifs
  ☆394Updated 2 years ago
• wengong-jin / icml18-jtnn
  Junction Tree Variational Autoencoder for Molecular Graph Generation (ICML 2018)
  ☆522Updated 2 years ago
• divelab / MoleculeX
  ☆165Updated 3 years ago
• wengong-jin / nips17-rexgen
  Predicting Organic Reaction Outcomes with Weisfeiler-Lehman Network (NIPS 2017)
  ☆148Updated 6 years ago
• gasteigerjo / dimenet
  DimeNet and DimeNet++ models, as proposed in "Directional Message Passing for Molecular Graphs" (ICLR 2020) and "Fast and Uncertainty-Awa…
  ☆315Updated last year
• mufeili / DL4MolecularGraph
  Literature of deep learning for graphs in Chemistry and Biology
  ☆198Updated 4 years ago
• microsoft / constrained-graph-variational-autoencoder
  Sample code for Constrained Graph Variational Autoencoders
  ☆235Updated last year
• masashitsubaki / molecularGNN_3Dstructure
  Graph neural network (GNN) for molecular property prediction (3D structure)
  ☆97Updated 4 years ago
• calvin-zcx / moflow
  MoFlow: an invertible flow model for generating molecular graphs
  ☆135Updated 2 years ago
• kevinid / molecule_generator
  Code for "Multi-Objective De Novo Drug Design with Conditional Graph Generative Model" (https://arxiv.org/abs/1801.07299)
  ☆137Updated 6 years ago
• bowenliu16 / rl_graph_generation
  ☆350Updated 2 years ago
• wengong-jin / multiobj-rationale
  Multi-Objective Molecule Generation using Interpretable Substructures (ICML 2020)
  ☆147Updated 2 years ago
• brain-research / mpnn
  Open source implementation of "Neural Message Passing for Quantum Chemistry"
  ☆235Updated 7 years ago
• SeongokRyu / augmented-GCN
  ☆58Updated 6 years ago
• pschwllr / MolecularTransformer
  ☆367Updated 2 years ago
• edvardlindelof / graph-neural-networks-for-drug-discovery
  ☆96Updated 4 years ago
• pfnet-research / graph-nvp
  GraphNVP: An Invertible Flow Model for Generating Molecular Graphs
  ☆92Updated 2 years ago
• ardigen / MAT
  The official implementation of the Molecule Attention Transformer.
  ☆243Updated 4 years ago
• ifding / graph-neural-networks
  Graph Neural Networks for Quantum Chemistry
  ☆126Updated 6 years ago
• wengong-jin / chemprop
  Chemical Property Prediction with Graph Convolutional Networks
  ☆60Updated 5 years ago
• BenevolentAI / guacamol_baselines
  Baselines models for GuacaMol benchmarks
  ☆137Updated last year
• tencent-alchemy / Alchemy
  ☆114Updated 8 months ago
• Networks-Learning / nevae
  Code and data for "NeVAE: A Deep Generative Model for Molecular Graphs", AAAI 2019
  ☆54Updated 5 years ago
• OpenDrugAI / AttentiveFP
  ☆179Updated 2 years ago
• gncs / molgym
  Reinforcement Learning for Molecular Design Guided by Quantum Mechanics
  ☆126Updated last year
• DeepGraphLearning / ConfGF
  Implementation of Learning Gradient Fields for Molecular Conformation Generation (ICML 2021).
  ☆165Updated 3 years ago
• MolecularAI / GraphINVENT
  Graph neural networks for molecular design.
  ☆368Updated 2 years ago
• drorlab / atom3d
  ATOM3D: tasks on molecules in three dimensions
  ☆307Updated 2 years ago