Alternatives and similar repositories for SEMG-MIGNN

Users that are interested in SEMG-MIGNN are comparing it to the libraries listed below

• onecoinbuybus / chemoinformatics
  ☆49Updated last year
• cuitaoyong / GPIP
  ☆18Updated last year
• linminhtoo / neuralsym
  Reimplementation of Segler et al's Template Relevance Network (NeuralSym) in their seminal Nature publication
  ☆33Updated 3 years ago
• knu-lcbc / RetroTRAE
  Retrosynthetic prediction with Atom Environments
  ☆37Updated 2 years ago
• ETHmodlab / lsfml
  Enabling late-stage drug diversification by high-throughput experimentation with geometric deep learning
  ☆18Updated 2 years ago
• Jamson-Zhong / Graph2Edits
  ☆33Updated 2 years ago
• owencqueen / PolymerGNN
  Polymer property prediction with GNNs and deep set learning.
  ☆23Updated 2 years ago
• guaguabujianle / GIGN
  ☆45Updated 2 years ago
• snu-micc / LocalMapper
  Precise reaction atom-to-atom mapping with LocalMapper
  ☆39Updated 5 months ago
• rnepal2 / Solubility-Prediction-with-Graph-Neural-Networks
  GNN, GCN, Molecular Solubility, RDKit, Cheminformatics
  ☆44Updated 3 months ago
• papercodekl / MolecularGET
  ☆16Updated 5 years ago
• NTU-MedAI / MolFrag
  Obtain and organize all feasible fragmentation of molecular methods
  ☆32Updated 2 years ago
• atomistic-machine-learning / schnetpack-gschnet
  G-SchNet extension for SchNetPack
  ☆60Updated 9 months ago
• qiangbo1222 / Uni-RXN-official
  ☆28Updated last year
• ChangwenXu98 / TransPolymer
  Implementation of "TransPolymer: a Transformer-based language model for polymer property predictions" in PyTorch
  ☆76Updated last year
• Brian-hongyan / 3D-MCTS
  3D-MCTS: A general structure-based molecule generation method with MCTS.
  ☆43Updated last year
• Shihang-Wang-58 / DeepSA
  A Deep-learning Driven Predictor of Compound Synthesis Accessibility
  ☆32Updated 2 months ago
• durrantlab / deepfrag
  DeepFrag is a deep convolutional neural network that guides ligand optimization by extending a ligand with a molecular fragment, such tha…
  ☆26Updated 2 months ago
• jfjoung / mechanism_prediction
  ☆28Updated last year
• conghaowang / GLDM
  ☆19Updated 8 months ago
• atomistic-machine-learning / cG-SchNet
  cG-SchNet - a conditional generative neural network for 3d molecular structures
  ☆62Updated 2 years ago
• ccdc-opensource / csd-python-api-scripts
  Example scripts using the CSD Python API
  ☆76Updated 2 weeks ago
• yydiao1025 / MacFrag
  ☆27Updated 2 years ago
• ZangXuan / HiMol
  ☆26Updated 2 years ago
• coleygroup / Graph2SMILES
  ☆59Updated last year
• wujialu / MF-SuP-pKa
  Pytorch implementation of “MF-SuP-pKa: multi-fidelity modeling with subgraph pooling mechanism for pKa prediction”
  ☆20Updated 2 years ago
• micahwang / RELATION
  ☆17Updated 2 years ago
• huichenggong / Learning-Computation-with-Chenggong
  ☆39Updated last year
• chenruduan / OAReactDiff
  An object-aware diffusion model for generating chemical reactions
  ☆137Updated last year
• OdinZhang / ResGen
  3D_Molecular_Generation
  ☆99Updated 9 months ago