illidanlab / MoCL-DKLinks
Implementation for the paper MoCL: Contrastive Learning on Molecular Graph with multi-level Domain Knowledge
☆41Updated last year
Alternatives and similar repositories for MoCL-DK
Users that are interested in MoCL-DK are comparing it to the libraries listed below
Sorting:
- Multi-view Graph Contrastive Representation Learning for Drug-drug Interaction Prediction☆44Updated 3 years ago
- Official implementation of NeurIPS'21 paper"Motif-based Graph Self-Supervised Learning for Molecular Property Prediction"☆122Updated last year
- Codes for "Property-Aware Relation Networks for Few-shot Molecular Property Prediction (NeurIPS 2021)".☆48Updated 3 years ago
- Implementation of Self-supervised Graph-level Representation Learning with Local and Global Structure (ICML 2021).☆80Updated 4 years ago
- Official implementation for the paper "Learning Substructure Invariance for Out-of-Distribution Molecular Representations" (NeurIPS 2022)…☆61Updated 2 years ago
- [KDD'22] Source codes of "Graph Rationalization with Environment-based Augmentations"☆43Updated 2 months ago
- Learning to Group Auxiliary Datasets for Molecule, NeurIPS2023☆19Updated last year
- [NeurIPS 2023] "Rethinking Tokenizer and Decoder in Masked Graph Modeling for Molecules"☆37Updated last year
- Code and Data for the paper: Molecular Contrastive Learning with Chemical Element Knowledge Graph [AAAI 2022]☆90Updated last year
- Unified 2D and 3D Pre-Training of Molecular Representations☆30Updated 2 years ago
- An end-to-end heterogeneous graph representation learning-based framework for drug-target interaction prediction☆30Updated 2 years ago
- SSM-DTA: Breaking the Barriers of Data Scarcity in Drug-Target Affinity Prediction (Briefings in Bioinformatics 2023)☆52Updated last year
- Code of our IJCAI2021 paper: "Learning Attributed Graph Representation with Communicative Message Passing Transformer"☆40Updated 3 years ago
- ☆23Updated 3 years ago
- Code and Data for the paper: Graph Sampling-based Meta-Learning for Molecular Property Prediction [IJCAI2023]☆18Updated last year
- This repository contains a PyTorch implementation of the paper "Hierarchical Graph Representation Learning for the Prediction of Drug-Tar…☆12Updated 2 years ago
- ☆28Updated 4 years ago
- codes for KPGT (Knowledge-guided Pre-training of Graph Transformer)☆112Updated 9 months ago
- ☆47Updated last year
- Recent application of graph neural network in drug discovery☆11Updated 5 years ago
- Pre-training Molecular Graph Representation with 3D Geometry, ICLR'22 (https://openreview.net/forum?id=xQUe1pOKPam)☆190Updated 2 years ago
- Source code for From Stars to Subgraphs (ICLR 2022)☆70Updated last year
- Code for AAAI 2024 paper "PSC-CPI: Multi-Scale Protein Sequence-Structure Contrasting for Efficient and Generalizable Compound-Protein In…☆28Updated 4 months ago
- Source code for TKDE'22 "KG-MTL: Knowledge Graph Enhanced Multi-Task Learning for Molecular Interaction"☆28Updated 2 years ago
- ☆14Updated 2 years ago
- A model named ATMOL for predicting molecular property☆10Updated 3 years ago
- ☆76Updated last year
- Implementation of Fragment-based Pretraining and Finetuning on Molecular Graphs (NeurIPS 2023)☆20Updated last year
- ☆14Updated 3 years ago
- GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1…☆45Updated last year