Alternatives and similar repositories for MolGAN-pytorch

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

• calvin-zcx / moflow
  MoFlow: an invertible flow model for generating molecular graphs
  ☆140Updated 2 years ago
• nicola-decao / MolGAN
  Tensorflow implementation of MolGAN: An implicit generative model for small molecular graphs
  ☆277Updated last year
• wengong-jin / iclr19-graph2graph
  Learning Multimodal Graph-to-Graph Translation for Molecular Optimization (ICLR 2019)
  ☆149Updated 6 years ago
• wengong-jin / multiobj-rationale
  Multi-Objective Molecule Generation using Interpretable Substructures (ICML 2020)
  ☆157Updated 2 years ago
• divelab / MoleculeX
  ☆169Updated 3 years ago
• microsoft / constrained-graph-variational-autoencoder
  Sample code for Constrained Graph Variational Autoencoders
  ☆233Updated 2 years ago
• DeepGraphLearning / ConfGF
  Implementation of Learning Gradient Fields for Molecular Conformation Generation (ICML 2021).
  ☆169Updated 3 years ago
• DeepGraphLearning / GraphAF
  ☆56Updated 3 years ago
• pfnet-research / graph-nvp
  GraphNVP: An Invertible Flow Model for Generating Molecular Graphs
  ☆95Updated 3 years ago
• kfzyqin / Implementation-MolGAN-PyTorch
  PyTorch implementation of MolGAN: MolGAN: An implicit generative model for small molecular graphs.
  ☆58Updated 3 years ago
• wengong-jin / hgraph2graph
  Hierarchical Generation of Molecular Graphs using Structural Motifs
  ☆403Updated 3 years ago
• biomed-AI / MolRep
  MolRep: A Deep Representation Learning Library for Molecular Property Prediction
  ☆129Updated 10 months ago
• ifding / graph-neural-networks
  Graph Neural Networks for Quantum Chemistry
  ☆126Updated 7 years ago
• Hanjun-Dai / GLN
  Implementation of Retrosynthesis Prediction with Conditional Graph Logic Network
  ☆129Updated 2 years ago
• bowenliu16 / rl_graph_generation
  ☆354Updated 2 years ago
• OpenDrugAI / AttentiveFP
  ☆187Updated 2 years ago
• yvquanli / TrimNet
  Code for paper "TrimNet: learning molecular representation from triplet messages for biomedicine "
  ☆53Updated 2 years ago
• SeongokRyu / augmented-GCN
  ☆59Updated 6 years ago
• mufeili / DL4MolecularGraph
  Literature of deep learning for graphs in Chemistry and Biology
  ☆201Updated 4 years ago
• Networks-Learning / nevae
  Code and data for "NeVAE: A Deep Generative Model for Molecular Graphs", AAAI 2019
  ☆55Updated 5 years ago
• HannesStark / 3DInfomax
  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
• 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
• BenevolentAI / guacamol_baselines
  Baselines models for GuacaMol benchmarks
  ☆141Updated last year
• chao1224 / GraphMVP
  Pre-training Molecular Graph Representation with 3D Geometry, ICLR'22 (https://openreview.net/forum?id=xQUe1pOKPam)
  ☆193Updated 2 years ago
• wengong-jin / icml18-jtnn
  Junction Tree Variational Autoencoder for Molecular Graph Generation (ICML 2018)
  ☆531Updated 2 years ago
• zaixizhang / MGSSL
  Official implementation of NeurIPS'21 paper"Motif-based Graph Self-Supervised Learning for Molecular Property Prediction"
  ☆122Updated last year
• malllabiisc / ProteinGCN
  ProteinGCN: Protein model quality assessment using Graph Convolutional Networks
  ☆118Updated last year
• ardigen / MAT
  The official implementation of the Molecule Attention Transformer.
  ☆247Updated 5 years ago
• brain-research / mpnn
  Open source implementation of "Neural Message Passing for Quantum Chemistry"
  ☆234Updated 8 years ago
• masashitsubaki / molecularGNN_3Dstructure
  Graph neural network (GNN) for molecular property prediction (3D structure)
  ☆99Updated 4 years ago