Alternatives and similar repositories for CurrMG

Users that are interested in CurrMG 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"
  ☆52Updated 3 years ago
• ziqi92 / Modof
  Molecule Optimization via Fragment-based Generative Models
  ☆43Updated 2 years ago
• conghaowang / GLDM
  ☆20Updated last year
• Hyunseung-Kim / molGCT
  ☆26Updated 2 years ago
• ZiqiaoZhang / FraGAT
  FraGAT: a fragment-oriented multi-scale graph attention model for molecular property prediction
  ☆27Updated 4 years ago
• knu-lcbc / RetroTRAE
  Retrosynthetic prediction with Atom Environments
  ☆38Updated 2 years ago
• pnnl / solubility-prediction-paper
  ☆15Updated 3 years ago
• pfizer-opensource / transform-molecules
  ☆17Updated 2 years ago
• SeonghwanSeo / DeepDL
  Official github for "Drug-likeness scoring based on unsupervised learning" (Chemical Science)
  ☆24Updated 4 months ago
• mathcom / COMA
  COMA: Efficient Structure-constrained Molecular Generation using Contractive and Margin losses
  ☆18Updated 2 years ago
• Lleyton-Ariton / molecule-generation
  Molecular SMILE generation with recurrent neural networks
  ☆20Updated 6 months ago
• danielvlla / Few-Shot-Learning-for-Low-Data-Drug-Discovery
  Few-shot machine learning for low-data drug discovery.
  ☆19Updated 3 years ago
• HyunSeobKim / CHEM-BERT
  pre-training BERT with molecular data
  ☆50Updated 4 years ago
• yvquanli / GLAM
  Code for "An adaptive graph learning method for automated molecular interactions and properties predictions".
  ☆40Updated 3 years ago
• josejimenezluna / molgrad
  Supporting code for doi 10.1021/acs.jcim.0c01344
  ☆23Updated 3 years ago
• maxime-langevin / scaffold-constrained-generation
  ☆41Updated 5 years ago
• wzxxxx / MGA
  MGA
  ☆44Updated 5 years ago
• cadd-synthetic / GASA
  Synthetic Accessible Prediction of Organic Compounds based on Graph Attention Mechanism
  ☆22Updated 2 years ago
• gmum / ChiENN
  ☆17Updated last year
• HelloJocelynLu / EFGs
  A simple molecule fragmentation method.
  ☆41Updated 2 years ago
• j9650 / MedusaGraph
  ☆28Updated 3 years ago
• ChloeKong / RG-MPNN
  ☆18Updated 3 years ago
• Shihang-Wang-58 / DeepSA
  A Deep-learning Driven Predictor of Compound Synthesis Accessibility
  ☆38Updated 7 months ago
• MolecularAI / Lib-INVENT-dataset
  ☆22Updated 2 years ago
• anny0316 / GEOM-CVAE
  ☆16Updated 4 years ago
• ninglab / Modof
  The implementation of Modof for Molecule Optimization
  ☆30Updated 2 years ago
• pnnl / FragNet
  A Graph Neural Network for molecular property prediction with four levels of Interpretability.
  ☆25Updated 4 months ago
• xianyuco / SS-GNN
  ☆24Updated 5 months ago
• CSUBioGroup / PGMG
  The official PyTorch implementation of PGMG: A Pharmacophore-Guided Deep Learning Approach for Bioactive Molecule Generation.
  ☆68Updated 2 years ago
• m-mokaya / RIOP
  ☆18Updated 2 years ago