jcchan23 / CoMPT
Code of our IJCAI2021 paper: "Learning Attributed Graph Representation with Communicative Message Passing Transformer"
☆39Updated 2 years ago
Related projects ⓘ
Alternatives and complementary repositories for CoMPT
- Official implementation of NeurIPS'21 paper"Motif-based Graph Self-Supervised Learning for Molecular Property Prediction"☆112Updated last year
- Implementation for the paper MoCL: Contrastive Learning on Molecular Graph with multi-level Domain Knowledge☆40Updated last year
- Multi-view Graph Contrastive Representation Learning for Drug-drug Interaction Prediction☆42Updated 2 years ago
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆61Updated 7 months ago
- Research repo for AI aided drug discovery, de novo drug development and related topics☆34Updated 2 years ago
- [ICLR 2024] MARCEL: Machine Learning over Molecular Conformer Ensembles☆40Updated last year
- Official PyTorch implementation of "Molecular Representation Learning via Heterogeneous Motif Graph Neural Networks"☆33Updated last year
- codes for KPGT (Knowledge-guided Pre-training of Graph Transformer)☆92Updated 2 months ago
- Codes for "Property-Aware Relation Networks for Few-shot Molecular Property Prediction (NeurIPS 2021)".☆45Updated 2 years ago
- [ICLR 2023] "Mole-BERT: Rethinking Pre-training Graph Neural Networks for Molecules"☆102Updated last year
- Chemical-Reaction-Aware Molecule Representation Learning☆75Updated 2 years ago
- ☆63Updated 3 years ago
- ☆72Updated last year
- CASTER: Predicting Drug Interactions with Chemical Substructure Representation (AAAI 2020)☆26Updated 4 years ago
- The official codes and implementations of HimGNN model in paper:"HimGNN:a novel hierarchical molecular representations learning framewor…☆17Updated last year
- Code for paper "TrimNet: learning molecular representation from triplet messages for biomedicine "☆51Updated last year
- Repo of pharmacophoric constrained heterogeneous-graph-transformer☆15Updated last year
- semi-supervised learning for molecular property prediction☆50Updated 3 years ago
- An End-to-End Framework for Molecular Conformation Generation via Bilevel Programming (ICML'21)☆51Updated 3 years ago
- Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)☆45Updated 3 years ago
- Unified 2D and 3D Pre-Training of Molecular Representations☆28Updated 2 years ago
- Papers about Structure-based Drug Design (SBDD)☆85Updated 2 weeks ago
- GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1…☆42Updated last year
- A Group Symmetric Stochastic Differential Equation Model for Molecule Multi-modal Pretraining, ICML'23☆31Updated 7 months ago
- ☆44Updated 2 years ago
- Source code for TKDE'22 "KG-MTL: Knowledge Graph Enhanced Multi-Task Learning for Molecular Interaction"☆26Updated 2 years ago
- Official implementation for Learning Invariant Molecular Representation in Latent Discrete Space (NeurIPS 2023)☆20Updated last year
- The official implementation of dual-view molecule pre-training.☆39Updated 3 years ago
- Code for "Unifying Molecular and Textual Representations via Multi-task Language Modelling" @ ICML 2023☆35Updated 2 months ago
- ☆50Updated 3 years ago