Alternatives and similar repositories for QM9nano4USTC

Users that are interested in QM9nano4USTC are comparing it to the libraries listed below

• SY575 / CMPNN
  ☆76Updated 2 years ago
• ifding / graph-neural-networks
  Graph Neural Networks for Quantum Chemistry
  ☆126Updated 7 years ago
• OpenDrugAI / AttentiveFP
  ☆186Updated 2 years ago
• tencent-alchemy / Alchemy
  ☆114Updated last year
• shuix007 / HMGNN
  Heterogeneous Molecular Graph Neural Network
  ☆28Updated 5 years ago
• zaixizhang / MGSSL
  Official implementation of NeurIPS'21 paper"Motif-based Graph Self-Supervised Learning for Molecular Property Prediction"
  ☆125Updated 2 years ago
• calvin-zcx / moflow
  MoFlow: an invertible flow model for generating molecular graphs
  ☆146Updated 2 years ago
• tata1661 / PAR-NeurIPS21
  Codes for "Property-Aware Relation Networks for Few-shot Molecular Property Prediction (NeurIPS 2021)".
  ☆50Updated 3 years ago
• illidanlab / MoCL-DK
  Implementation for the paper MoCL: Contrastive Learning on Molecular Graph with multi-level Domain Knowledge
  ☆41Updated 2 years ago
• DeepGraphLearning / ConfGF
  Implementation of Learning Gradient Fields for Molecular Conformation Generation (ICML 2021).
  ☆169Updated 4 years ago
• kamikaze0923 / jtvae
  Junctional Tree Variational Auto-encoder
  ☆26Updated 5 years ago
• HaoZhongkai / AS_Molecule
  Active learning
  ☆28Updated 4 years ago
• biomed-AI / MolRep
  MolRep: A Deep Representation Learning Library for Molecular Property Prediction
  ☆128Updated last year
• chao1224 / GraphMVP
  Pre-training Molecular Graph Representation with 3D Geometry, ICLR'22 (https://openreview.net/forum?id=xQUe1pOKPam)
  ☆198Updated 3 years ago
• blackmints / 3DGCN
  Three-Dimensionally Embedded Graph Convolutional Network (3DGCN) for Molecule Interpretation
  ☆54Updated 6 years ago
• lihan97 / KPGT
  codes for KPGT (Knowledge-guided Pre-training of Graph Transformer)
  ☆116Updated last year
• smiles724 / Molformer
  ☆95Updated 3 months ago
• DeepGraphLearning / GraphAF
  ☆57Updated 4 years ago
• Fangyinfff / KCL
  Code and Data for the paper: Molecular Contrastive Learning with Chemical Element Knowledge Graph [AAAI 2022]
  ☆90Updated last year
• TUM-DAML / gemnet_pytorch
  GemNet model in PyTorch, as proposed in "GemNet: Universal Directional Graph Neural Networks for Molecules" (NeurIPS 2021)
  ☆213Updated 2 years ago
• yongqyu / MolGAN-pytorch
  Pytroch implementation of MolGAN: An implicit generative model for small molecular graphs (https://arxiv.org/abs/1805.11973)
  ☆175Updated 6 years ago
• yuyangw / MolCLR
  Implementation of MolCLR: "Molecular Contrastive Learning of Representations via Graph Neural Networks" in PyG.
  ☆297Updated last year
• uta-smile / RetroXpert
  ☆64Updated 4 years ago
• divelab / MoleculeX
  ☆170Updated 3 years ago
• seokhokang / mol_mpnn
  Efficient Learning of Message Passing Neural Networks for Molecular Property Production
  ☆18Updated 5 years ago
• zhang-xuan1314 / Molecular-graph-BERT
  semi-supervised learning for molecular property prediction
  ☆51Updated 4 years ago
• HannesStark / 3DInfomax
  Making self-supervised learning work on molecules by using their 3D geometry to pre-train GNNs. Implemented in DGL and Pytorch Geometric.
  ☆169Updated 2 years ago
• junxia97 / Mole-BERT
  [ICLR 2023] "Mole-BERT: Rethinking Pre-training Graph Neural Networks for Molecules"
  ☆125Updated 2 years ago
• pyli0628 / MPG
  ☆47Updated last year
• hwwang55 / MolR
  Chemical-Reaction-Aware Molecule Representation Learning
  ☆80Updated 3 years ago