Alternatives and similar repositories for GF-VAE

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

• YinanHuang / 3DLinker
  An E(3) Equivariant Variational Autoencoder for Molecular Linker Design
  ☆47Updated 2 years ago
• ziqi92 / Modof
  Molecule Optimization via Fragment-based Generative Models
  ☆42Updated 2 years ago
• anny0316 / Drug3D-Net
  A Spatial-temporal Gated Attention Module for Molecular Property Prediction Based on Molecular Geometry
  ☆32Updated 4 years ago
• KemperNiklas / FragNet
  Official Implementation of Expressivity and Generalization: Fragment-Biases for Molecular GNNs
  ☆19Updated 9 months ago
• juexinwang / NRI-MD
  Neural relational inference for molecular dynamics simulations
  ☆59Updated 2 years ago
• jiaor17 / 3D-EMGP
  [AAAI 2023] The implementation for the paper "Energy-Motivated Equivariant Pretraining for 3D Molecular Graphs"
  ☆33Updated 11 months ago
• fate1997 / FFiNet
  Force field-inspired molecular representation learning model
  ☆21Updated last year
• MinkaiXu / CGCF-ConfGen
  Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)
  ☆46Updated 4 years ago
• ninglab / Modof
  The implementation of Modof for Molecule Optimization
  ☆28Updated last year
• atomistic-machine-learning / cG-SchNet
  cG-SchNet - a conditional generative neural network for 3d molecular structures
  ☆61Updated 2 years ago
• chao1224 / GeoSSL
  GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1…
  ☆47Updated 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 9 months ago
• DirectMolecularConfGen / DMCG
  ☆58Updated 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
• anny0316 / GEOM-CVAE
  ☆15Updated 4 years ago
• Hyunseung-Kim / molGCT
  ☆26Updated last year
• dbkgroup / prop_gen
  A novel hybrid method for generating molecules with desired property scores.
  ☆42Updated 3 years ago
• ZhaoningYu1996 / HM-GNN
  Official PyTorch implementation of "Molecular Representation Learning via Heterogeneous Motif Graph Neural Networks"
  ☆37Updated 2 years ago
• chenxiaowei-vincent / XGraphBoost
  ☆58Updated 4 years ago
• vsomnath / holoprot
  Multi-Scale Representation Learning on Proteins (NeurIPS 2021)
  ☆48Updated 2 years ago
• admislf / MINN-DTI
  Effective drug-target interaction prediction with mutual interaction neural network
  ☆33Updated 3 years ago
• THUNLP-MT / PS-VAE
  This repo contains the codes for our paper: Molecule Generation by Principal Subgraph Mining and Assembling.
  ☆41Updated last year
• drigoni / ConditionalCGVAE
  Conditional Constrained Graph Variational Autoencoders (CCGVAE) for Molecule Design
  ☆16Updated 4 years ago
• jaechanglim / GNN_DTI
  ☆67Updated 5 years ago
• jules-leguy / EvoMol
  Evolutionary algorithm for the optimization of molecular properties.
  ☆58Updated 3 months ago
• HamidHadipour / Deep-clustering-of-small-molecules-at-large-scale-via-variational-autoencoder-embedding-and-K-means
  ☆16Updated last year
• nyu-dl / dl4chem-mgm
  ☆67Updated 3 years ago
• qiangbo1222 / HierDiff
  Implementation of ICML2023 paper : Coarse-to-Fine: a Hierarchical Diffusion Model for Molecule Generation in 3D
  ☆48Updated 2 years ago
• georgelamb19 / chempropBayes
  Bayesian MPNNs for Molecular Property Prediction
  ☆27Updated 4 years ago
• HelloJocelynLu / EFGs
  A simple molecule fragmentation method.
  ☆36Updated last year