tata1661 / PAR-NeurIPS21Links
Codes for "Property-Aware Relation Networks for Few-shot Molecular Property Prediction (NeurIPS 2021)".
☆51Updated 3 years ago
Alternatives and similar repositories for PAR-NeurIPS21
Users that are interested in PAR-NeurIPS21 are comparing it to the libraries listed below
Sorting:
- Official implementation of NeurIPS'21 paper"Motif-based Graph Self-Supervised Learning for Molecular Property Prediction"☆126Updated 2 years ago
- Implementation for the paper MoCL: Contrastive Learning on Molecular Graph with multi-level Domain Knowledge☆41Updated 2 years ago
- Official PyTorch implementation of "Molecular Representation Learning via Heterogeneous Motif Graph Neural Networks"☆37Updated 2 years ago
- codes for KPGT (Knowledge-guided Pre-training of Graph Transformer)☆117Updated last year
- Official implementation for the paper "Learning Substructure Invariance for Out-of-Distribution Molecular Representations" (NeurIPS 2022)…☆61Updated 2 years ago
- [ICLR 2023] "Mole-BERT: Rethinking Pre-training Graph Neural Networks for Molecules"☆127Updated 2 years ago
- Molecular Hypergraph Neural Network☆40Updated 4 months ago
- Code of our IJCAI2021 paper: "Learning Attributed Graph Representation with Communicative Message Passing Transformer"☆40Updated 3 years ago
- Code and Data for the paper: Graph Sampling-based Meta-Learning for Molecular Property Prediction [IJCAI2023]☆19Updated 2 years ago
- Unified 2D and 3D Pre-Training of Molecular Representations☆30Updated 3 years ago
- ☆22Updated 2 years ago
- [KDD'22] Source codes of "Graph Rationalization with Environment-based Augmentations"☆47Updated 7 months ago
- SSM-DTA: Breaking the Barriers of Data Scarcity in Drug-Target Affinity Prediction (Briefings in Bioinformatics 2023)☆55Updated last year
- Pre-training Molecular Graph Representation with 3D Geometry, ICLR'22 (https://openreview.net/forum?id=xQUe1pOKPam)☆201Updated 3 years ago
- The implementation of the paper "Multi-Modal Representation Learning for Molecular Property Prediction: Sequence, Graph, Geometry".☆49Updated 11 months ago
- CASTER: Predicting Drug Interactions with Chemical Substructure Representation (AAAI 2020)☆25Updated 5 years ago
- Code and data for the Nature Machine Intelligence paper "Knowledge graph-enhanced molecular contrastive learning with functional prompt".☆134Updated last year
- A Group Symmetric Stochastic Differential Equation Model for Molecule Multi-modal Pretraining, ICML'23☆33Updated last year
- ☆14Updated 3 years ago
- MolRep: A Deep Representation Learning Library for Molecular Property Prediction☆129Updated last year
- ☆47Updated 2 years ago
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆70Updated last year
- Conditional Diffusion Based on Discrete Graph Structures for Molecular Graph Generation☆34Updated 2 years ago
- Code and Data for the paper: Molecular Contrastive Learning with Chemical Element Knowledge Graph [AAAI 2022]☆90Updated last year
- Multi-view Graph Contrastive Representation Learning for Drug-drug Interaction Prediction☆44Updated 3 years ago
- GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1…☆47Updated 2 years ago
- [ICLR 2024] MARCEL: Machine Learning over Molecular Conformer Ensembles☆43Updated 2 years ago
- Interpretable bilinear attention network with domain adaptation improves drug-target prediction.☆132Updated 2 years ago
- ☆77Updated 2 years ago
- Learning to Group Auxiliary Datasets for Molecule, NeurIPS2023☆18Updated last year