Alternatives and similar repositories for awesome-pretrain-on-molecules

Users that are interested in awesome-pretrain-on-molecules are comparing it to the libraries listed below

• tencent-ailab / grover
  This is a Pytorch implementation of the paper: Self-Supervised Graph Transformer on Large-Scale Molecular Data
  ☆363Updated 2 months ago
• chao1224 / GraphMVP
  Pre-training Molecular Graph Representation with 3D Geometry, ICLR'22 (https://openreview.net/forum?id=xQUe1pOKPam)
  ☆197Updated 2 years ago
• yuyangw / MolCLR
  Implementation of MolCLR: "Molecular Contrastive Learning of Representations via Graph Neural Networks" in PyG.
  ☆292Updated last year
• zaixizhang / MGSSL
  Official implementation of NeurIPS'21 paper"Motif-based Graph Self-Supervised Learning for Molecular Property Prediction"
  ☆124Updated 2 years ago
• junxia97 / Mole-BERT
  [ICLR 2023] "Mole-BERT: Rethinking Pre-training Graph Neural Networks for Molecules"
  ☆125Updated 2 years ago
• lsj2408 / Transformer-M
  [ICLR 2023] One Transformer Can Understand Both 2D & 3D Molecular Data (official implementation)
  ☆215Updated 2 years ago
• thinng / GraphDTA
  GraphDTA: Predicting drug-target binding affinity with graph neural networks
  ☆268Updated 4 years ago
• zjunlp / MolGen
  [ICLR 2024] Domain-Agnostic Molecular Generation with Chemical Feedback
  ☆176Updated 8 months ago
• kexinhuang12345 / MolTrans
  MolTrans: Molecular Interaction Transformer for Drug Target Interaction Prediction (Bioinformatics)
  ☆214Updated 3 years ago
• divelab / MoleculeX
  ☆170Updated 3 years ago
• awslabs / dgl-lifesci
  Python package for graph neural networks in chemistry and biology
  ☆769Updated last year
• dengjianyuan / Survey_AI_Drug_Discovery
  ☆324Updated last year
• lihan97 / KPGT
  codes for KPGT (Knowledge-guided Pre-training of Graph Transformer)
  ☆116Updated 11 months ago
• HICAI-ZJU / KANO
  Code and data for the Nature Machine Intelligence paper "Knowledge graph-enhanced molecular contrastive learning with functional prompt".
  ☆128Updated last year
• amorehead / awesome-molecular-generation
  Awesome papers related to generative molecular modeling and design.
  ☆335Updated last month
• biomed-AI / MolRep
  MolRep: A Deep Representation Learning Library for Molecular Property Prediction
  ☆128Updated 11 months ago
• wengong-jin / hgraph2graph
  Hierarchical Generation of Molecular Graphs using Structural Motifs
  ☆409Updated 3 years ago
• OpenDrugAI / AttentiveFP
  ☆186Updated 2 years ago
• deepmodeling / Uni-Mol
  Official Repository for the Uni-Mol Series Methods
  ☆938Updated 3 months ago
• zjunlp / OntoProtein
  [ICLR 2022] OntoProtein: Protein Pretraining With Gene Ontology Embedding
  ☆149Updated 6 months ago
• drorlab / gvp-pytorch
  Geometric Vector Perceptrons --- a rotation-equivariant GNN for learning from biomolecular structure
  ☆293Updated 2 years ago
• DeepGraphLearning / GearNet
  GearNet and Geometric Pretraining Methods for Protein Structure Representation Learning, ICLR'2023 (https://arxiv.org/abs/2203.06125)
  ☆300Updated 3 months ago
• IBM / molformer
  Repository for MolFormer
  ☆341Updated 4 months ago
• QizhiPei / Awesome-Biomolecule-Language-Cross-Modeling
  Awesome-Biomolecule-Language-Cross-Modeling: a curated list of resources for paper "Leveraging Biomolecule and Natural Language through M…
  ☆223Updated 4 months ago
• blender-nlp / MolT5
  Associated Repository for "Translation between Molecules and Natural Language"
  ☆183Updated 2 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 last year
• chao1224 / MoleculeSTM
  Multi-modal Molecule Structure-text Model for Text-based Editing and Retrieval, Nat Mach Intell 2023 (https://www.nature.com/articles/s42…
  ☆238Updated 2 months ago
• microsoft / Drug-Interaction-Research
  ☆88Updated 2 years ago
• DSPsleeporg / smiles-transformer
  Original implementation of the paper "SMILES Transformer: Pre-trained Molecular Fingerprint for Low Data Drug Discovery" by Shion Honda e…
  ☆345Updated 2 years ago
• AspirinCode / papers-for-molecular-design-using-DL
  List of Molecular and Material design using Generative AI and Deep Learning
  ☆859Updated this week