Alternatives and similar repositories for hignn

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

• mhlee216 / MGCVAE
  Code for "MGCVAE: Multi-Objective Inverse Design via Molecular Graph Conditional Variational Autoencoder" (https://doi.org/10.1021/acs.jc…
  ☆36Updated last year
• lmqfly / Geometry-Deep-Learning-for-Drug-Discovery
  Geometry Deep Learning for Drug Discovery and Life Science
  ☆71Updated last year
• wzxxxx / MGA
  MGA
  ☆44Updated 4 years ago
• conghaowang / GLDM
  ☆20Updated 11 months ago
• admislf / MINN-DTI
  Effective drug-target interaction prediction with mutual interaction neural network
  ☆33Updated 3 years ago
• xianyuco / SS-GNN
  ☆24Updated 4 months ago
• danielvlla / Few-Shot-Learning-for-Low-Data-Drug-Discovery
  Few-shot machine learning for low-data drug discovery.
  ☆19Updated 3 years ago
• HelloJocelynLu / EFGs
  A simple molecule fragmentation method.
  ☆40Updated 2 years ago
• NTU-MedAI / MolFrag
  Obtain and organize all feasible fragmentation of molecular methods
  ☆33Updated 2 years ago
• Hyunseung-Kim / molGCT
  ☆26Updated last year
• anny0316 / GEOM-CVAE
  ☆15Updated 4 years ago
• coleygroup / Graph2SMILES
  ☆64Updated 2 years ago
• CSUBioGroup / PGMG
  The official PyTorch implementation of PGMG: A Pharmacophore-Guided Deep Learning Approach for Bioactive Molecule Generation.
  ☆65Updated 2 years ago
• ziqi92 / Modof
  Molecule Optimization via Fragment-based Generative Models
  ☆42Updated 2 years ago
• wujialu / MF-SuP-pKa
  Pytorch implementation of “MF-SuP-pKa: multi-fidelity modeling with subgraph pooling mechanism for pKa prediction”
  ☆20Updated 2 years ago
• DrugAI / ACNet
  ☆17Updated 3 years ago
• yvquanli / GLAM
  Code for "An adaptive graph learning method for automated molecular interactions and properties predictions".
  ☆40Updated 2 years ago
• SeonghwanSeo / DeepDL
  Official github for "Drug-likeness scoring based on unsupervised learning" (Chemical Science)
  ☆24Updated 3 months ago
• snu-lcbc / atom-in-SMILES
  Atom-in-SMILES tokenizer for SMILES strings.
  ☆42Updated last year
• prokia / deepHops
  source code for deppHop
  ☆36Updated 3 years ago
• jkwang93 / ChemistGA
  ☆22Updated 3 years ago
• wzxxxx / Knowledge-based-BERT
  K-BERT for molecular property prediction.
  ☆31Updated 3 years ago
• wzxxxx / Substructure-Mask-Explanation
  structure-based explanation methods
  ☆28Updated last year
• tbwxmu / SAMPN
  ☆48Updated 5 years ago
• idrugLab / FP-GNN
  ☆67Updated 2 years ago
• wzxxxx / Prompt-MolOpt
  a multi-property optimization method.
  ☆32Updated last year
• guaguabujianle / MGraphDTA
  ☆58Updated last year
• OdinZhang / SDEGen
  ☆24Updated 2 years ago
• XieResearchGroup / Physics-aware-Multiplex-GNN
  Source code for "A universal framework for accurate and efficient geometric deep learning of molecular systems" (Nature Scientific Report…
  ☆72Updated last month
• RMeli / gnina-torch
  🔥 PyTorch implementation of GNINA scoring function for molecular docking
  ☆71Updated 9 months ago