Alternatives and similar repositories for HiMol

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

• wzxxxx / Substructure-Mask-Explanation
  structure-based explanation methods
  ☆29Updated last year
• Vencent-Won / SGGRL
  The implementation of the paper "Multi-Modal Representation Learning for Molecular Property Prediction: Sequence, Graph, Geometry".
  ☆50Updated last year
• Jamson-Zhong / Graph2Edits
  ☆39Updated 2 years ago
• jiaor17 / 3D-EMGP
  [AAAI 2023] The implementation for the paper "Energy-Motivated Equivariant Pretraining for 3D Molecular Graphs"
  ☆33Updated last year
• agave233 / GeomGCL
  Official implementation for AAAI 2022 paper: "GeomGCL: Geometric Graph Contrastive Learning for Molecular Property Prediction".
  ☆22Updated 3 years ago
• lmqfly / Geometry-Deep-Learning-for-Drug-Discovery
  Geometry Deep Learning for Drug Discovery and Life Science
  ☆72Updated last year
• 20171130 / NERF
  Code for our paper Non-Autoregressive Electron Redistribution Modeling for Reaction Prediction (ICML 2021)
  ☆18Updated 4 years ago
• uta-smile / RetroXpert
  ☆65Updated 4 years ago
• idrugLab / FP-GNN
  ☆70Updated 2 years ago
• pyli0628 / MPG
  ☆47Updated 2 years ago
• wzxxxx / Knowledge-based-BERT
  K-BERT for molecular property prediction.
  ☆31Updated 3 years ago
• pengxingang / MolDiff
  MolDiff: Addressing the Atom-Bond Inconsistency Problem in 3D Molecule Diffusion Generation
  ☆82Updated last year
• coleygroup / Graph2SMILES
  ☆64Updated 2 years ago
• wzxxxx / MGA
  MGA
  ☆44Updated 5 years ago
• guaguabujianle / GIGN
  ☆48Updated 2 years ago
• CMACH508 / KGDiff
  Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance
  ☆35Updated 2 years ago
• Chokyotager / NotYetAnotherNightshade
  Graph variational encoders for drug engineering and potentiation
  ☆30Updated 2 years ago
• idrugLab / hignn
  Code for "HiGNN: A Hierarchical Informative Graph Neural Network for Molecular Property Prediction Equipped with Feature-Wise Attention"
  ☆53Updated 3 years ago
• knu-lcbc / RetroTRAE
  Retrosynthetic prediction with Atom Environments
  ☆38Updated 2 years ago
• alxfgh / Large-Language-Models-in-Chemistry
  Working collection of papers, repos and models of transformer based language models trained or tuned for the Chemical domain, from natura…
  ☆71Updated 2 years ago
• DirectMolecularConfGen / DMCG
  ☆63Updated 3 years ago
• conghaowang / GLDM
  ☆20Updated last year
• ziqi92 / Modof
  Molecule Optimization via Fragment-based Generative Models
  ☆43Updated 2 years ago
• OdinZhang / ResGen
  3D_Molecular_Generation
  ☆106Updated last year
• papercodekl / MolecularGET
  ☆16Updated 6 years ago
• 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
• Bibyutatsu / FastJTNNpy3
  AI for discovering 100% valid drug like molecules, a combination of VAE-JTNN and bayesian optimization, an optimized Python 3 Version of …
  ☆53Updated 5 years ago
• JK-Liu7 / AttentionMGT-DTA
  ☆40Updated 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
• ecust-hc / ScaffoldGVAE
  ScaffoldGVAE: A Variational Autoencoder Based on Multi-View Graph Neural Networks for Scaffold Generation and Scaffold Hopping of Drug Mo…
  ☆43Updated 2 years ago