Alternatives and similar repositories for SGGRL

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

• agave233 / GeomGCL
  Official implementation for AAAI 2022 paper: "GeomGCL: Geometric Graph Contrastive Learning for Molecular Property Prediction".
  ☆22Updated 3 years ago
• pengxingang / MolDiff
  MolDiff: Addressing the Atom-Bond Inconsistency Problem in 3D Molecule Diffusion Generation
  ☆75Updated last year
• ZangXuan / HiMol
  ☆26Updated 2 years ago
• jiaor17 / 3D-EMGP
  [AAAI 2023] The implementation for the paper "Energy-Motivated Equivariant Pretraining for 3D Molecular Graphs"
  ☆33Updated last year
• lihan97 / KPGT
  codes for KPGT (Knowledge-guided Pre-training of Graph Transformer)
  ☆116Updated last year
• zaixizhang / FLAG
  Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"
  ☆70Updated last year
• wzxxxx / Substructure-Mask-Explanation
  structure-based explanation methods
  ☆28Updated 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
• tencent-ailab / MDM
  MDM
  ☆56Updated last year
• zaixizhang / Awesome-SBDD
  Papers about Structure-based Drug Design (SBDD)
  ☆132Updated 2 months ago
• shamim-hussain / tgt
  Triplet Graph Transformer
  ☆48Updated 2 months ago
• CMACH508 / KGDiff
  Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance
  ☆35Updated last year
• JK-Liu7 / AttentionMGT-DTA
  ☆40Updated last year
• lmqfly / Geometry-Deep-Learning-for-Drug-Discovery
  Geometry Deep Learning for Drug Discovery and Life Science
  ☆71Updated last year
• conghaowang / GLDM
  ☆20Updated 10 months ago
• A-Gentle-Cat / PremuNet
  Official code implementation of PremuNet model.
  ☆16Updated 5 months ago
• vsomnath / graphretro
  Learning Graph Models for Retrosynthesis Prediction (NeurIPS 2021)
  ☆53Updated 2 years ago
• liugangcode / Graph-DiT
  The code for "Graph Diffusion Transformer for Multi-Conditional Molecular Generation"
  ☆94Updated 5 months ago
• Rich-XGK / GTMGC
  Implementation of GTMGC: Using Graph Transformer to Predict Molecule’s Ground-State Conformation (ICLR2024 Spotlight).
  ☆18Updated last year
• schwallergroup / mhnn
  Molecular Hypergraph Neural Network
  ☆40Updated 4 months ago
• shehzaidi / pre-training-via-denoising
  Official implementation of pre-training via denoising for TorchMD-NET
  ☆98Updated 2 years ago
• ecust-hc / ScaffoldGVAE
  ScaffoldGVAE: A Variational Autoencoder Based on Multi-View Graph Neural Networks for Scaffold Generation and Scaffold Hopping of Drug Mo…
  ☆42Updated 2 years ago
• junxia97 / Mole-BERT
  [ICLR 2023] "Mole-BERT: Rethinking Pre-training Graph Neural Networks for Molecules"
  ☆126Updated 2 years ago
• guaguabujianle / GIGN
  ☆48Updated 2 years ago
• LirongWu / PSC-CPI
  Code for AAAI 2024 paper "PSC-CPI: Multi-Scale Protein Sequence-Structure Contrasting for Efficient and Generalizable Compound-Protein In…
  ☆28Updated 9 months ago
• zaixizhang / DrugGPS_ICML23
  Implementation of ICML23 paper "Learning Subpocket Prototypes for Generalizable Structure-based Drug Design"
  ☆30Updated last year
• wzxxxx / Knowledge-based-BERT
  K-BERT for molecular property prediction.
  ☆31Updated 3 years ago
• Layne-Huang / PMDM
  ☆142Updated 3 months ago
• wzxxxx / MGA
  MGA
  ☆44Updated 4 years ago
• uta-smile / RetroXpert
  ☆64Updated 4 years ago