Alternatives and similar repositories for nmp_qc

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

• brain-research / mpnn
  Open source implementation of "Neural Message Passing for Quantum Chemistry"
  ☆234Updated 8 years ago
• lrjconan / LanczosNetwork
  Lanczos Network, Graph Neural Networks, Deep Graph Convolutional Networks, Deep Learning on Graph Structured Data, QM8 Quantum Chemistry …
  ☆314Updated 5 years ago
• nicola-decao / MolGAN
  Tensorflow implementation of MolGAN: An implicit generative model for small molecular graphs
  ☆282Updated last year
• mkusner / grammarVAE
  Code for the "Grammar Variational Autoencoder" https://arxiv.org/abs/1703.01925
  ☆276Updated 5 years ago
• Luckick / EAGCN
  Multi-View Spectral Graph Convolution with Consistent Edge Attention for Molecular Modeling
  ☆203Updated 3 years ago
• microsoft / constrained-graph-variational-autoencoder
  Sample code for Constrained Graph Variational Autoencoders
  ☆236Updated 2 years ago
• bowenliu16 / rl_graph_generation
  ☆355Updated 2 years ago
• HIPS / neural-fingerprint
  Convolutional nets which can take molecular graphs of arbitrary size as input.
  ☆496Updated 7 years ago
• wengong-jin / iclr19-graph2graph
  Learning Multimodal Graph-to-Graph Translation for Molecular Optimization (ICLR 2019)
  ☆148Updated 6 years ago
• wengong-jin / icml18-jtnn
  Junction Tree Variational Autoencoder for Molecular Graph Generation (ICML 2018)
  ☆533Updated 2 years ago
• horacepan / gnns
  Collection of graph neural networks in pytorch
  ☆50Updated 7 years ago
• benatorc / PA-Graph-Transformer
  ☆43Updated 2 years ago
• HIPS / molecule-autoencoder
  A project to enable optimization of molecules by transforming them to and from a continuous representation.
  ☆155Updated 8 years ago
• snap-stanford / GraphRNN
  ☆427Updated 6 years ago
• JiaxuanYou / graph-generation
  GraphRNN: Generating Realistic Graphs with Deep Auto-regressive Models
  ☆727Updated 3 years ago
• tencent-alchemy / Alchemy
  ☆114Updated last year
• gablg1 / ORGAN
  Objective-Reinforced Generative Adversarial Networks (ORGAN) for Sequence Generation Models
  ☆240Updated 2 years ago
• xbresson / spectral_graph_convnets
  PyTorch implementation of spectral graph ConvNets, NeurIPS’16
  ☆292Updated 7 years ago
• yongqyu / MolGAN-pytorch
  Pytroch implementation of MolGAN: An implicit generative model for small molecular graphs (https://arxiv.org/abs/1805.11973)
  ☆174Updated 6 years ago
• fps7806 / Graph-CNN
  Implementation of https://arxiv.org/abs/1703.00792.
  ☆45Updated 8 years ago
• Hanjun-Dai / sdvae
  code for Syntax-Directed Variational Autoencoder that generates programs and molecues
  ☆79Updated 7 years ago
• pfnet-research / graph-nvp
  GraphNVP: An Invertible Flow Model for Generating Molecular Graphs
  ☆96Updated 3 years ago
• ifding / graph-neural-networks
  Graph Neural Networks for Quantum Chemistry
  ☆126Updated 7 years ago
• wengong-jin / nips17-rexgen
  Predicting Organic Reaction Outcomes with Weisfeiler-Lehman Network (NIPS 2017)
  ☆156Updated 6 years ago
• shagunsodhani / Graph-Reading-Group
  Weekly reading group on Graphs at Mila
  ☆282Updated 6 years ago
• cxhernandez / molencoder
  Molecular AutoEncoder in PyTorch
  ☆90Updated 5 years ago
• SeongokRyu / augmented-GCN
  ☆59Updated 6 years ago
• lrjconan / GRAN
  Efficient Graph Generation with Graph Recurrent Attention Networks, Deep Generative Model of Graphs, Graph Neural Networks, NeurIPS 2019
  ☆477Updated 2 years ago
• Networks-Learning / nevae
  Code and data for "NeVAE: A Deep Generative Model for Molecular Graphs", AAAI 2019
  ☆56Updated 5 years ago
• vermaMachineLearning / keras-deep-graph-learning
  Welcome to Keras Deep Learning on Graphs (Keras-DGL) http://vermaMachineLearning.github.io/keras-deep-graph-learning
  ☆103Updated 3 years ago