moen-hyb / ATMOLLinks
A model named ATMOL for predicting molecular property
☆10Updated 3 years ago
Alternatives and similar repositories for ATMOL
Users that are interested in ATMOL are comparing it to the libraries listed below
Sorting:
- Implementation for the paper MoCL: Contrastive Learning on Molecular Graph with multi-level Domain Knowledge☆41Updated last year
- ☆22Updated 2 years ago
- Codes for "Property-Aware Relation Networks for Few-shot Molecular Property Prediction (NeurIPS 2021)".☆48Updated 3 years ago
- Code and Data for the paper: Graph Sampling-based Meta-Learning for Molecular Property Prediction [IJCAI2023]☆18Updated last year
- ☆9Updated 3 years ago
- Multi-view Graph Contrastive Representation Learning for Drug-drug Interaction Prediction☆44Updated 3 years ago
- Multi-modal co-attention for drug-target interaction annotation and Its Application to SARS-CoV-2☆17Updated 2 years ago
- Repo of pharmacophoric constrained heterogeneous-graph-transformer☆17Updated 2 years ago
- Molecular Hypergraph Neural Network☆38Updated 10 months ago
- A collection of resources related with Knowledge-augmented Graph Machine Learning for Drug Discovery.☆20Updated 11 months ago
- ☆47Updated last year
- An end-to-end heterogeneous graph representation learning-based framework for drug-target interaction prediction☆30Updated 2 years ago
- ☆12Updated 4 years ago
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆67Updated 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
- ☆19Updated last year
- SSM-DTA: Breaking the Barriers of Data Scarcity in Drug-Target Affinity Prediction (Briefings in Bioinformatics 2023)☆52Updated last year
- The official codes and implementations of HimGNN model in paper:"HimGNN:a novel hierarchical molecular representations learning framewor…☆20Updated last year
- CASTER: Predicting Drug Interactions with Chemical Substructure Representation (AAAI 2020)☆26Updated 4 years ago
- ☆14Updated 3 years ago
- Code of our IJCAI2021 paper: "Learning Attributed Graph Representation with Communicative Message Passing Transformer"☆40Updated 3 years ago
- Effective drug-target interaction prediction with mutual interaction neural network☆32Updated 3 years ago
- A Spatial-temporal Gated Attention Module for Molecular Property Prediction Based on Molecular Geometry☆32Updated 4 years ago
- Code for AAAI 2024 paper "PSC-CPI: Multi-Scale Protein Sequence-Structure Contrasting for Efficient and Generalizable Compound-Protein In…☆28Updated 4 months ago
- ☆23Updated last year
- Conditional Constrained Graph Variational Autoencoders (CCGVAE) for Molecule Design☆16Updated 4 years ago
- Official implementation for AAAI 2022 paper: "GeomGCL: Geometric Graph Contrastive Learning for Molecular Property Prediction".☆22Updated 2 years ago
- [KDD'22] Source codes of "Graph Rationalization with Environment-based Augmentations"☆43Updated 2 months ago
- Molecule Optimization via Fragment-based Generative Models