Alternatives and similar repositories for FP-GNN

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

• wzxxxx / MGA
  MGA
  ☆44Updated 4 years ago
• Chokyotager / NotYetAnotherNightshade
  Graph variational encoders for drug engineering and potentiation
  ☆30Updated 2 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
• idrugLab / FG-BERT
  Code for "FG-BERT: A Self-Supervised Molecular Representation Learning Method Based on Functional Groups"
  ☆29Updated last year
• 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…
  ☆77Updated 2 years ago
• ZhaoLongSYSU / Demo-GraphDTA-
  小白入门DTA方向，GraphDTA作为经典的DTA模型，对于python基础不好，深度学习代码实操不强者，本github将代码细致的进行注释阐述，旨在记录学习过程，帮助更多入门者尽快入门！
  ☆27Updated 2 years ago
• OdinZhang / ResGen
  3D_Molecular_Generation
  ☆100Updated last year
• guaguabujianle / MGraphDTA
  ☆58Updated last year
• ComputArtCMCG / PLANET
  ☆70Updated last year
• zjujdj / InteractionGraphNet
  InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…
  ☆47Updated 2 years ago
• ZangXuan / HiMol
  ☆27Updated 2 years ago
• sc8668 / RTMScore
  ☆110Updated 2 years ago
• ChengF-Lab / ImageMol
  ☆46Updated 2 years ago
• KSUN63 / DeepDTA-Pytorch
  Pytorch Implementation of the original DeepDTA paper (https://github.com/hkmztrk/DeepDTA/)
  ☆13Updated last year
• QiaoyuHu89 / DiffGui
  ☆55Updated last month
• guaguabujianle / GIGN
  ☆49Updated 2 years ago
• JK-Liu7 / AttentionMGT-DTA
  ☆40Updated last year
• schrojunzhang / KarmaDock
  ☆129Updated last year
• pengxingang / PocketXMol
  Implementation of PocketXMol, the pocket-interacting molecular generative foundation model.
  ☆92Updated last month
• CSUBioGroup / PGMG
  The official PyTorch implementation of PGMG: A Pharmacophore-Guided Deep Learning Approach for Bioactive Molecule Generation.
  ☆65Updated 2 years ago
• Wang-Lin-boop / GeminiMol
  Incorporation of conformational space profile into molecular representation learning, and its application to drug discovery, including vi…
  ☆66Updated 4 months ago
• uta-smile / RetroXpert
  ☆64Updated 4 years ago
• Xundrug / MolGpKa
  The graph-convolutional neural network for pka prediction
  ☆91Updated last year
• knu-lcbc / RetroTRAE
  Retrosynthetic prediction with Atom Environments
  ☆38Updated 2 years ago
• agave233 / GeomGCL
  Official implementation for AAAI 2022 paper: "GeomGCL: Geometric Graph Contrastive Learning for Molecular Property Prediction".
  ☆22Updated 3 years ago
• wzxxxx / Prompt-MolOpt
  a multi-property optimization method.
  ☆32Updated 11 months ago
• molML / MoleculeACE
  A tool for evaluating the predictive performance on activity cliff compounds of machine learning models
  ☆199Updated 9 months ago
• coleygroup / Graph2SMILES
  ☆64Updated 2 years ago
• lmqfly / Geometry-Deep-Learning-for-Drug-Discovery
  Geometry Deep Learning for Drug Discovery and Life Science
  ☆71Updated last year