Alternatives and similar repositories for GF-VAE

Users that are interested in GF-VAE are comparing it to the libraries listed below

• ziqi92 / Modof
  Molecule Optimization via Fragment-based Generative Models
  ☆42Updated 2 years ago
• OdinZhang / SDEGen
  ☆24Updated 2 years ago
• mhlee216 / MGCVAE
  Code for "MGCVAE: Multi-Objective Inverse Design via Molecular Graph Conditional Variational Autoencoder" (https://doi.org/10.1021/acs.jc…
  ☆34Updated 11 months ago
• ninglab / Modof
  The implementation of Modof for Molecule Optimization
  ☆30Updated 2 years ago
• atomistic-machine-learning / cG-SchNet
  cG-SchNet - a conditional generative neural network for 3d molecular structures
  ☆62Updated 2 years ago
• idrugLab / hignn
  Code for "HiGNN: A Hierarchical Informative Graph Neural Network for Molecular Property Prediction Equipped with Feature-Wise Attention"
  ☆51Updated 2 years ago
• YinanHuang / 3DLinker
  An E(3) Equivariant Variational Autoencoder for Molecular Linker Design
  ☆49Updated 3 years ago
• anny0316 / GEOM-CVAE
  ☆15Updated 4 years ago
• MinkaiXu / CGCF-ConfGen
  Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)
  ☆46Updated 4 years ago
• pyli0628 / MPG
  ☆47Updated 2 years ago
• ZangXuan / HiMol
  ☆27Updated 2 years ago
• anny0316 / Drug3D-Net
  A Spatial-temporal Gated Attention Module for Molecular Property Prediction Based on Molecular Geometry
  ☆32Updated 4 years ago
• uta-smile / RetroXpert
  ☆64Updated 4 years ago
• Hyunseung-Kim / molGCT
  ☆26Updated last year
• PattanaikL / chiral_gnn
  ☆21Updated 3 years ago
• jules-leguy / EvoMol
  Evolutionary algorithm for the optimization of molecular properties.
  ☆59Updated 5 months ago
• gncs / graphdg
  Generative model for molecular distance geometry
  ☆38Updated 2 years ago
• admislf / MINN-DTI
  Effective drug-target interaction prediction with mutual interaction neural network
  ☆33Updated 3 years ago
• fate1997 / FFiNet
  Force field-inspired molecular representation learning model
  ☆21Updated 2 years ago
• kamikaze0923 / jtvae
  Junctional Tree Variational Auto-encoder
  ☆26Updated 5 years ago
• DirectMolecularConfGen / DMCG
  ☆60Updated 3 years ago
• coleygroup / polymer-chemprop
  Message Passing Neural Networks for Molecule Property Prediction
  ☆47Updated 3 years ago
• papercodekl / MolecularGET
  ☆16Updated 5 years ago
• jaechanglim / GNN_DTI
  ☆67Updated 5 years ago
• HelloJocelynLu / EFGs
  A simple molecule fragmentation method.
  ☆37Updated 2 years ago
• ZhaoningYu1996 / HM-GNN
  Official PyTorch implementation of "Molecular Representation Learning via Heterogeneous Motif Graph Neural Networks"
  ☆37Updated 2 years ago
• ETHmodlab / BIMODAL
  Supporting code for the paper "Bidirectional Molecule Generation with Recurrent Neural Networks" (J. Chem. Inf. 2020, 60, 3).
  ☆53Updated 5 years ago
• Rose-STL-Lab / LIMO
  generative model for drug discovery
  ☆64Updated last week
• XieResearchGroup / Physics-aware-Multiplex-GNN
  Code for our Nature Scientific Reports paper "A universal framework for accurate and efficient geometric deep learning of molecular syste…
  ☆72Updated last year
• Xundrug / MolGpKa
  The graph-convolutional neural network for pka prediction
  ☆89Updated last year