Alternatives and similar repositories for Attention-and-Edge-MPNN

Users that are interested in Attention-and-Edge-MPNN are comparing it to the libraries listed below

• seokhokang / mol_mpnn
  Efficient Learning of Message Passing Neural Networks for Molecular Property Production
  ☆18Updated 5 years ago
• olsson-group / RL-GraphINVENT
  RL-GraphINVENT is a platform for graph-based targeted molecular generation using graph neural networks and reinforcement learning. RL-Gra…
  ☆77Updated 2 years ago
• XuhanLiu / NGFP
  PyTorch-based Neural Graph Fingerprint for Organic Molecule Representations
  ☆27Updated 5 years ago
• seokhokang / nmr_mpnn_pytorch
  Neural Message Passing for NMR Chemical Shift Prediction
  ☆11Updated 3 years ago
• blackmints / 3DGCN
  Three-Dimensionally Embedded Graph Convolutional Network (3DGCN) for Molecule Interpretation
  ☆54Updated 6 years ago
• georgelamb19 / chempropBayes
  Bayesian MPNNs for Molecular Property Prediction
  ☆28Updated 4 years ago
• dbkgroup / prop_gen
  A novel hybrid method for generating molecules with desired property scores.
  ☆42Updated 3 years ago
• shuix007 / HMGNN
  Heterogeneous Molecular Graph Neural Network
  ☆28Updated 5 years ago
• tata1661 / PAR-NeurIPS21
  Codes for "Property-Aware Relation Networks for Few-shot Molecular Property Prediction (NeurIPS 2021)".
  ☆50Updated 3 years ago
• uta-smile / CD-MVGNN
  ☆14Updated 3 years ago
• ZhaoningYu1996 / HM-GNN
  Official PyTorch implementation of "Molecular Representation Learning via Heterogeneous Motif Graph Neural Networks"
  ☆37Updated 2 years ago
• kamikaze0923 / jtvae
  Junctional Tree Variational Auto-encoder
  ☆26Updated 5 years ago
• SeongokRyu / uq_molecule
  Uncertainty quantification of molecular property prediction using Bayesian deep learning
  ☆45Updated 6 years ago
• simonfqy / PADME
  This is the repository containing the source code for my Master's thesis research, about predicting drug-target interaction using deep le…
  ☆43Updated 6 years ago
• seokhokang / graphvae_approx
  Efficient Learning of Non-Autoregressive Graph Variational Autoencoders for Molecular Graph Generation
  ☆41Updated 5 years ago
• jiachengxiong / Literature
  Recent application of graph neural network in drug discovery
  ☆10Updated 5 years ago
• chenxiaowei-vincent / XGraphBoost
  ☆58Updated 4 years ago
• jcchan23 / CoMPT
  Code of our IJCAI2021 paper: "Learning Attributed Graph Representation with Communicative Message Passing Transformer"
  ☆40Updated 3 years ago
• aksub99 / MolDQN-pytorch
  A PyTorch Implementation of "Optimization of Molecules via Deep Reinforcement Learning".
  ☆81Updated 2 years ago
• AITRICS / FREED
  Fragment-based generative RL with Explorative Experience replay for Drug design (FREED)
  ☆55Updated 3 years ago
• anny0316 / Drug3D-Net
  A Spatial-temporal Gated Attention Module for Molecular Property Prediction Based on Molecular Geometry
  ☆32Updated 4 years ago
• SY575 / CMPNN
  ☆76Updated 2 years ago
• ZJULearning / graph_level_drug_discovery
  ☆61Updated 6 years ago
• zaixizhang / MGSSL
  Official implementation of NeurIPS'21 paper"Motif-based Graph Self-Supervised Learning for Molecular Property Prediction"
  ☆125Updated 2 years ago
• AITRICS / mol_reliable_gnn
  Source codes for 'A baseline for reliable molecular prediction models via Bayesian learning'
  ☆29Updated 4 years ago
• SeongokRyu / augmented-GCN
  ☆59Updated 6 years ago
• yvquanli / TrimNet
  Code for paper "TrimNet: learning molecular representation from triplet messages for biomedicine "
  ☆55Updated 2 years ago
• zty2009 / GCN-DNN
  ☆14Updated 5 years ago
• jaechanglim / CVAE
  github for "Molecular generative model based on conditional variational autoencoder for de novo molecular design"
  ☆107Updated 3 years ago
• pyli0628 / MPG
  ☆47Updated last year