Alternatives and similar repositories for graph_grammar

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

• lucidrains / molecule-attention-transformer
  Pytorch reimplementation of Molecule Attention Transformer, which uses a transformer to tackle the graph-like structure of molecules
  ☆58Updated 4 years ago
• pfnet-research / graph-nvp
  GraphNVP: An Invertible Flow Model for Generating Molecular Graphs
  ☆97Updated 3 years ago
• MinkaiXu / ConfVAE-ICML21
  An End-to-End Framework for Molecular Conformation Generation via Bilevel Programming (ICML'21)
  ☆51Updated 4 years ago
• nyu-dl / dl4chem-geometry
  ☆63Updated 6 years ago
• 99andBeyond / Apollo1060
  Data and models (with prediction scripts) used in publications related to Apollo1060 platform
  ☆65Updated last year
• gmh14 / data_efficient_grammar
  [ICLR 2022] Data-Efficient Graph Grammar Learning for Molecular Generation
  ☆97Updated 2 years ago
• SeongokRyu / Molecular-GAT
  Molecular-GAT
  ☆21Updated 7 years ago
• binghong-ml / MolEvol
  Source code for ICLR 2021 paper: "Molecule Optimization by Explainable Evolution"
  ☆30Updated 4 years ago
• topazape / molecular-VAE
  Implementation of the paper - Automatic chemical design using a data-driven continuous representation of molecules
  ☆47Updated 4 years ago
• rusty1s / himp-gnn
  Hierarchical Inter-Message Passing for Learning on Molecular Graphs
  ☆80Updated 3 years ago
• gncs / graphdg
  Generative model for molecular distance geometry
  ☆38Updated 2 years ago
• nyu-dl / conditional-molecular-design-ssvae
  ☆50Updated last year
• yangkevin2 / coronavirus_data
  ☆81Updated 2 years ago
• Networks-Learning / nevae
  Code and data for "NeVAE: A Deep Generative Model for Molecular Graphs", AAAI 2019
  ☆56Updated 5 years ago
• bioinf-jku / interpretable_ml_drug_discovery
  Interpreting graph convolutional filters of target prediction network
  ☆48Updated 6 years ago
• aksub99 / MolDQN-pytorch
  A PyTorch Implementation of "Optimization of Molecules via Deep Reinforcement Learning".
  ☆81Updated 2 years ago
• TUM-DAML / synthetic_coordinates
  Synthetic coordinates for GNNs, as proposed in "Directional Message Passing on Molecular Graphs via Synthetic Coordinates" (NeurIPS 2021)
  ☆31Updated 2 years ago
• DeepGraphLearning / GraphAF
  ☆57Updated 4 years ago
• yvquanli / TrimNet
  Code for paper "TrimNet: learning molecular representation from triplet messages for biomedicine "
  ☆56Updated 2 years ago
• SeongokRyu / augmented-GCN
  ☆59Updated 6 years ago
• deepchem / torchchem
  An experimental repo for experimenting with PyTorch models
  ☆36Updated 2 years ago
• lucidrains / geometric-vector-perceptron
  Implementation of Geometric Vector Perceptron, a simple circuit for 3d rotation equivariance for learning over large biomolecules, in Pyt…
  ☆75Updated 4 years ago
• AITRICS / mol_reliable_gnn
  Source codes for 'A baseline for reliable molecular prediction models via Bayesian learning'
  ☆29Updated 4 years ago
• marcopodda / fragment-based-dgm
  Code for the paper "A Deep Generative Model for Fragment-Based Molecule Generation" (AISTATS 2020)
  ☆67Updated 2 years ago
• gncs / molgym
  Reinforcement Learning for Molecular Design Guided by Quantum Mechanics
  ☆126Updated 2 years ago
• gmum / graph-representations
  Comparing graph representations for molecular features prediction
  ☆24Updated 2 years ago
• Hanjun-Dai / sdvae
  code for Syntax-Directed Variational Autoencoder that generates programs and molecues
  ☆80Updated 7 years ago
• masashitsubaki / molecularGNN_3Dstructure
  Graph neural network (GNN) for molecular property prediction (3D structure)
  ☆102Updated 4 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 7 years ago
• yangkevin2 / icml2020-stochastic-iterative-target-augmentation
  ☆11Updated 5 years ago