molecular-representation-learning

There are 6 repositories under molecular-representation-learning topic.

  • junxia97/awesome-pretrain-on-molecules

    [IJCAI 2023 survey track]A curated list of resources for chemical pre-trained models

    53120159

  • junxia97/SimGRACE

    [WWW 2022] "SimGRACE: A Simple Framework for Graph Contrastive Learning without Data Augmentation"

    Language:Python79136
  • PAR-NeurIPS21

    tata1661/PAR-NeurIPS21

    Codes for "Property-Aware Relation Networks for Few-shot Molecular Property Prediction (NeurIPS 2021)".

    Language:Python49499

  • HICAI-ZJU/iMoLD

    Official implementation for Learning Invariant Molecular Representation in Latent Discrete Space (NeurIPS 2023)

    Language:Python21162

  • rahulkhorana/PolyatomicComplexes

    Representations of atomistic systems.

    Language:Python3110

  • zahta/funqg

    This repository contains codes and data related to the paper "FunQG: Molecular Representation Learning Via Quotient Graphs". A pre-print version of this paper is currently available at

    Language:Python0000