Alternatives and similar repositories for GeomGCL

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

• lihan97 / KPGT
  codes for KPGT (Knowledge-guided Pre-training of Graph Transformer)
  ☆116Updated 11 months ago
• lmqfly / Geometry-Deep-Learning-for-Drug-Discovery
  Geometry Deep Learning for Drug Discovery and Life Science
  ☆71Updated last year
• ZangXuan / HiMol
  ☆26Updated 2 years ago
• wzxxxx / Knowledge-based-BERT
  K-BERT for molecular property prediction.
  ☆30Updated 3 years ago
• guaguabujianle / MGraphDTA
  ☆53Updated last year
• Vencent-Won / SGGRL
  The implementation of the paper "Multi-Modal Representation Learning for Molecular Property Prediction: Sequence, Graph, Geometry".
  ☆45Updated 8 months ago
• JK-Liu7 / AttentionMGT-DTA
  ☆39Updated last year
• idrugLab / FP-GNN
  ☆67Updated 2 years ago
• wzxxxx / MGA
  MGA
  ☆44Updated 4 years ago
• zaixizhang / FLAG
  Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"
  ☆69Updated last year
• jiaor17 / 3D-EMGP
  [AAAI 2023] The implementation for the paper "Energy-Motivated Equivariant Pretraining for 3D Molecular Graphs"
  ☆33Updated last year
• uta-smile / RetroXpert
  ☆64Updated 4 years ago
• pyli0628 / MPG
  ☆47Updated last year
• KSUN63 / DeepDTA-Pytorch
  Pytorch Implementation of the original DeepDTA paper (https://github.com/hkmztrk/DeepDTA/)
  ☆12Updated 9 months ago
• wzxxxx / Substructure-Mask-Explanation
  structure-based explanation methods
  ☆28Updated last year
• LirongWu / PSC-CPI
  Code for AAAI 2024 paper "PSC-CPI: Multi-Scale Protein Sequence-Structure Contrasting for Efficient and Generalizable Compound-Protein In…
  ☆28Updated 7 months ago
• CMACH508 / KGDiff
  Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance
  ☆34Updated last year
• chao1224 / GeoSSL
  GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1…
  ☆47Updated 2 years ago
• OdinZhang / ResGen
  3D_Molecular_Generation
  ☆98Updated 9 months ago
• zaixizhang / Awesome-SBDD
  Papers about Structure-based Drug Design (SBDD)
  ☆124Updated 2 weeks ago
• devalab / molgpt
  ☆160Updated 2 years ago
• molML / MoleculeACE
  A tool for evaluating the predictive performance on activity cliff compounds of machine learning models
  ☆188Updated 7 months ago
• Layne-Huang / PMDM
  ☆139Updated last month
• junxia97 / Mole-BERT
  [ICLR 2023] "Mole-BERT: Rethinking Pre-training Graph Neural Networks for Molecules"
  ☆125Updated 2 years ago
• JU-HuaY / MFR
  ☆10Updated 2 years ago
• biomed-AI / MUSE
  ☆26Updated last year
• wzxxxx / Prompt-MolOpt
  a multi-property optimization method.
  ☆32Updated 9 months ago
• yvquanli / GLAM
  Code for "An adaptive graph learning method for automated molecular interactions and properties predictions".
  ☆40Updated 2 years ago
• huankoh / PSICHIC
  PSICHIC (pronounced Psychic) - PhySIcoCHemICal graph neural network for learning protein-ligand interaction fingerprints from sequence da…
  ☆114Updated last year
• Chokyotager / NotYetAnotherNightshade
  Graph variational encoders for drug engineering and potentiation
  ☆30Updated 2 years ago