Alternatives and similar repositories for FP-GNN

Users that are interested in FP-GNN are comparing it to the libraries listed below

• wzxxxx / Knowledge-based-BERT
  K-BERT for molecular property prediction.
  ☆30Updated 3 years ago
• wzxxxx / MGA
  MGA
  ☆44Updated 4 years ago
• Chokyotager / NotYetAnotherNightshade
  Graph variational encoders for drug engineering and potentiation
  ☆30Updated 2 years ago
• wzxxxx / Substructure-Mask-Explanation
  structure-based explanation methods
  ☆27Updated last year
• OdinZhang / ResGen
  3D_Molecular_Generation
  ☆99Updated 9 months ago
• ComputArtCMCG / PLANET
  ☆68Updated last year
• schrojunzhang / KarmaDock
  ☆122Updated last year
• ZangXuan / HiMol
  ☆26Updated 2 years ago
• zjujdj / InteractionGraphNet
  InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…
  ☆46Updated 2 years ago
• guaguabujianle / MGraphDTA
  ☆53Updated last year
• sc8668 / RTMScore
  ☆105Updated 2 years ago
• lifanchen-simm / transformerCPI2.0
  Sequence-to-drug concept adds a perspective on drug design. It can serve as an alternative method to SBDD, particularly for proteins that…
  ☆70Updated 2 years ago
• OdinZhang / AI-Physics-DrugDiscovery
  my own studied materials and scripts
  ☆52Updated 4 months ago
• pengxingang / PocketXMol
  Implementation of PocketXMol, the pocket-interacting molecular generative foundation model.
  ☆68Updated 2 months ago
• conghaowang / GLDM
  ☆19Updated 8 months ago
• knu-lcbc / RetroTRAE
  Retrosynthetic prediction with Atom Environments
  ☆37Updated 2 years ago
• anny0316 / GEOM-CVAE
  ☆15Updated 4 years ago
• Wang-Lin-boop / GeminiMol
  Incorporation of conformational space profile into molecular representation learning, and its application to drug discovery, including vi…
  ☆55Updated last month
• idrugLab / FG-BERT
  Code for "FG-BERT: A Self-Supervised Molecular Representation Learning Method Based on Functional Groups"
  ☆28Updated last year
• maplightrx / MapLight-TDC
  ☆19Updated last year
• agave233 / GeomGCL
  Official implementation for AAAI 2022 paper: "GeomGCL: Geometric Graph Contrastive Learning for Molecular Property Prediction".
  ☆22Updated 3 years ago
• guaguabujianle / GIGN
  ☆44Updated 2 years ago
• yvquanli / GLAM
  Code for "An adaptive graph learning method for automated molecular interactions and properties predictions".
  ☆40Updated 2 years ago
• admislf / MINN-DTI
  Effective drug-target interaction prediction with mutual interaction neural network
  ☆33Updated 3 years ago
• KSUN63 / DeepDTA-Pytorch
  Pytorch Implementation of the original DeepDTA paper (https://github.com/hkmztrk/DeepDTA/)
  ☆12Updated 8 months ago
• Xundrug / MolGpKa
  The graph-convolutional neural network for pka prediction
  ☆82Updated last year
• lmqfly / Geometry-Deep-Learning-for-Drug-Discovery
  Geometry Deep Learning for Drug Discovery and Life Science
  ☆71Updated last year
• zinph / Cheminformatics
  All the handy little scripts for cheminformatics related projects
  ☆34Updated 2 years ago
• gaojianl / KnoMol
  ☆14Updated 8 months ago
• JU-HuaY / MFR
  ☆10Updated 2 years ago