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
  ☆28Updated last year
• agave233 / GeomGCL
  Official implementation for AAAI 2022 paper: "GeomGCL: Geometric Graph Contrastive Learning for Molecular Property Prediction".
  ☆22Updated 3 years ago
• Vencent-Won / SGGRL
  The implementation of the paper "Multi-Modal Representation Learning for Molecular Property Prediction: Sequence, Graph, Geometry".
  ☆47Updated 10 months ago
• Jamson-Zhong / Graph2Edits
  ☆34Updated 2 years ago
• 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
• idrugLab / FP-GNN
  ☆67Updated 2 years ago
• coleygroup / Graph2SMILES
  ☆63Updated last year
• wzxxxx / Knowledge-based-BERT
  K-BERT for molecular property prediction.
  ☆31Updated 3 years ago
• wzxxxx / MGA
  MGA
  ☆44Updated 4 years ago
• JK-Liu7 / AttentionMGT-DTA
  ☆39Updated last year
• lmqfly / Geometry-Deep-Learning-for-Drug-Discovery
  Geometry Deep Learning for Drug Discovery and Life Science
  ☆71Updated last year
• 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…
  ☆68Updated 2 years ago
• pengxingang / MolDiff
  MolDiff: Addressing the Atom-Bond Inconsistency Problem in 3D Molecule Diffusion Generation
  ☆73Updated last year
• vsomnath / graphretro
  Learning Graph Models for Retrosynthesis Prediction (NeurIPS 2021)
  ☆52Updated 2 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
• Chokyotager / NotYetAnotherNightshade
  Graph variational encoders for drug engineering and potentiation
  ☆30Updated 2 years ago
• lihan97 / KPGT
  codes for KPGT (Knowledge-guided Pre-training of Graph Transformer)
  ☆116Updated last year
• papercodekl / MolecularGET
  ☆16Updated 5 years ago
• pyli0628 / MPG
  ☆47Updated 2 years ago
• guaguabujianle / GIGN
  ☆48Updated 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…
  ☆41Updated 2 years ago
• linminhtoo / neuralsym
  Reimplementation of Segler et al's Template Relevance Network (NeuralSym) in their seminal Nature publication
  ☆33Updated 3 years ago
• molML / MoleculeACE
  A tool for evaluating the predictive performance on activity cliff compounds of machine learning models
  ☆193Updated 8 months ago
• zaixizhang / Awesome-SBDD
  Papers about Structure-based Drug Design (SBDD)
  ☆126Updated last month
• OdinZhang / ResGen
  3D_Molecular_Generation
  ☆100Updated 10 months ago
• 20171130 / NERF
  Code for our paper Non-Autoregressive Electron Redistribution Modeling for Reaction Prediction (ICML 2021)
  ☆18Updated 4 years ago
• conghaowang / GLDM
  ☆19Updated 9 months ago
• DirectMolecularConfGen / DMCG
  ☆60Updated 2 years ago
• LCY02 / ABT-MPNN
  An atom-bond transformer-based message passing neural network for molecular property prediction.
  ☆37Updated 2 years ago