Alternatives and similar repositories for MGCVAE

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

• idrugLab / hignn
  Code for "HiGNN: A Hierarchical Informative Graph Neural Network for Molecular Property Prediction Equipped with Feature-Wise Attention"
  ☆51Updated 2 years ago
• ziqi92 / Modof
  Molecule Optimization via Fragment-based Generative Models
  ☆42Updated 2 years ago
• ecust-hc / ScaffoldGVAE
  ScaffoldGVAE: A Variational Autoencoder Based on Multi-View Graph Neural Networks for Scaffold Generation and Scaffold Hopping of Drug Mo…
  ☆40Updated last year
• CSUBioGroup / PGMG
  The official PyTorch implementation of PGMG: A Pharmacophore-Guided Deep Learning Approach for Bioactive Molecule Generation.
  ☆62Updated last year
• zinph / Cheminformatics
  All the handy little scripts for cheminformatics related projects
  ☆34Updated 2 years ago
• wzxxxx / Prompt-MolOpt
  a multi-property optimization method.
  ☆32Updated 7 months ago
• Shihang-Wang-58 / DeepSA
  A Deep-learning Driven Predictor of Compound Synthesis Accessibility
  ☆31Updated 2 months ago
• oxpig / DEVELOP
  ☆55Updated last year
• yvquanli / GLAM
  Code for "An adaptive graph learning method for automated molecular interactions and properties predictions".
  ☆40Updated 2 years ago
• DirectMolecularConfGen / DMCG
  ☆58Updated 2 years ago
• conghaowang / GLDM
  ☆18Updated 7 months ago
• jkwang93 / ChemistGA
  ☆23Updated 2 years ago
• wzxxxx / MGA
  MGA
  ☆44Updated 4 years ago
• tbwxmu / SAMPN
  ☆47Updated 5 years ago
• OdinZhang / AI-Physics-DrugDiscovery
  my own studied materials and scripts
  ☆52Updated 3 months ago
• m-mokaya / RIOP
  ☆17Updated 2 years ago
• guaguabujianle / GIGN
  ☆44Updated 2 years ago
• AndMastro / protein-ligand-GNN
  This repository contains the code for the work on protein-ligand interaction with GNNs and XAI
  ☆35Updated last year
• luoyunan / KDBNet
  Kinase–drug binding prediction with calibrated uncertainty quantification
  ☆23Updated last year
• j9650 / MedusaGraph
  ☆28Updated 2 years ago
• longlongman / DESERT
  Zero-Shot 3D Drug Design by Sketching and Generating (NeurIPS 2022)
  ☆34Updated 2 years ago
• liutairan / eMolFrag
  eMolFrag is a molecular fragmentation tool based on BRICS algorithm written in Python.
  ☆49Updated 4 years ago
• anny0316 / GEOM-CVAE
  ☆15Updated 4 years ago
• wenhao-gao / mol-opt
  Mol-Opt: a toolbox for molecular design
  ☆22Updated last year
• Hyunseung-Kim / molGCT
  ☆26Updated last year
• HelloJocelynLu / EFGs
  A simple molecule fragmentation method.
  ☆36Updated last year
• uta-smile / SMILES-BERT
  ☆50Updated 4 years ago
• OdinZhang / SDEGen
  ☆23Updated 2 years ago
• alxfgh / Large-Language-Models-in-Chemistry
  Working collection of papers, repos and models of transformer based language models trained or tuned for the Chemical domain, from natura…
  ☆68Updated 2 years ago
• qiangbo1222 / Uni-RXN-official
  ☆28Updated last year