moen-hyb / ATMOL
A model named ATMOL for predicting molecular property
☆10Updated 2 years ago
Alternatives and similar repositories for ATMOL:
Users that are interested in ATMOL are comparing it to the libraries listed below
- Implementation for the paper MoCL: Contrastive Learning on Molecular Graph with multi-level Domain Knowledge☆41Updated last year
- ☆9Updated 3 years ago
- Code and Data for the paper: Graph Sampling-based Meta-Learning for Molecular Property Prediction [IJCAI2023]☆19Updated last year
- [KDD'22] Source codes of "Graph Rationalization with Environment-based Augmentations"☆40Updated last week
- ☆18Updated last year
- Official PyTorch implementation of "Molecular Representation Learning via Heterogeneous Motif Graph Neural Networks"☆34Updated 2 years ago
- ☆20Updated 2 years ago
- This repository contains a PyTorch implementation of the paper "Hierarchical Graph Representation Learning for the Prediction of Drug-Tar…☆12Updated 2 years ago
- Code for AAAI 2024 paper "PSC-CPI: Multi-Scale Protein Sequence-Structure Contrasting for Efficient and Generalizable Compound-Protein In…☆26Updated last month
- The official codes and implementations of HimGNN model in paper:"HimGNN:a novel hierarchical molecular representations learning framewor…☆17Updated last year
- An end-to-end heterogeneous graph representation learning-based framework for drug-target interaction prediction☆30Updated 2 years ago
- A collection of resources related with Knowledge-augmented Graph Machine Learning for Drug Discovery.☆20Updated 9 months ago
- Molecular Hypergraph Neural Network☆34Updated 8 months ago
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆63Updated 11 months ago
- Multi-modal co-attention for drug-target interaction annotation and Its Application to SARS-CoV-2☆17Updated 2 years ago
- [AAAI 2023] The implementation for the paper "Energy-Motivated Equivariant Pretraining for 3D Molecular Graphs"☆35Updated 6 months ago
- Official implementation for Learning Invariant Molecular Representation in Latent Discrete Space (NeurIPS 2023)☆21Updated last year
- ☆14Updated 3 years ago
- Codes for "Property-Aware Relation Networks for Few-shot Molecular Property Prediction (NeurIPS 2021)".☆47Updated 3 years ago
- A Spatial-temporal Gated Attention Module for Molecular Property Prediction Based on Molecular Geometry☆32Updated 3 years ago
- Multi-view Graph Contrastive Representation Learning for Drug-drug Interaction Prediction☆43Updated 3 years ago
- GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1…☆46Updated last year
- Official implementation for AAAI 2022 paper: "GeomGCL: Geometric Graph Contrastive Learning for Molecular Property Prediction".☆21Updated 2 years ago
- ☆46Updated last year
- codes for KPGT (Knowledge-guided Pre-training of Graph Transformer)☆105Updated 6 months ago
- ☆12Updated 3 years ago
- ☆27Updated 3 years ago
- SSM-DTA: Breaking the Barriers of Data Scarcity in Drug-Target Affinity Prediction (Briefings in Bioinformatics 2023)☆52Updated 10 months ago
- BridgeDPI: A Novel Graph Neural Network for Predicting Drug-Protein Interactions☆19Updated 3 months ago
- A Group Symmetric Stochastic Differential Equation Model for Molecule Multi-modal Pretraining, ICML'23☆32Updated last year