gu-yaowen / CurrMGLinks
An efficient curriculum learning-based strategy for molecular graph learning
☆18Updated 2 years ago
Alternatives and similar repositories for CurrMG
Users that are interested in CurrMG are comparing it to the libraries listed below
Sorting:
- Code for "HiGNN: A Hierarchical Informative Graph Neural Network for Molecular Property Prediction Equipped with Feature-Wise Attention"☆51Updated 2 years ago
- FraGAT: a fragment-oriented multi-scale graph attention model for molecular property prediction☆27Updated 4 years ago
- ☆26Updated last year
- Official github for "Drug-likeness scoring based on unsupervised learning" (Chemical Science)☆22Updated last month
- ☆16Updated 3 years ago
- COMA: Efficient Structure-constrained Molecular Generation using Contractive and Margin losses☆18Updated last year
- Molecule Optimization via Fragment-based Generative Models☆42Updated 2 years ago
- ☆39Updated 4 years ago
- Synthetic Accessible Prediction of Organic Compounds based on Graph Attention Mechanism☆22Updated 2 years ago
- ☆19Updated 9 months ago
- Effective drug-target interaction prediction with mutual interaction neural network☆33Updated 3 years ago
- A simple molecule fragmentation method.☆37Updated last year
- Molecular SMILE generation with recurrent neural networks☆20Updated 2 months ago
- Official Implementation of Expressivity and Generalization: Fragment-Biases for Molecular GNNs☆19Updated 11 months ago
- ☆18Updated 3 years ago
- MGA☆44Updated 4 years ago
- Autoregressive fragment-based diffusion for target-aware ligand design☆31Updated last year
- ☆14Updated 3 years ago
- ProCare: A Point Cloud Registration Approach to Align Protein Cavities☆30Updated 2 years ago
- Retrosynthetic prediction with Atom Environments☆37Updated 2 years ago
- ☆15Updated 4 years ago
- ☆21Updated 2 years ago
- ☆24Updated 2 years ago
- ☆15Updated 3 years ago
- ☆12Updated last year
- Semi-supervised Junction Tree Variational Autoencoder for jointly trained property prediction and molecule structure generation. (AAAI 23…☆12Updated 2 years ago
- ☆17Updated 2 years ago
- maxsmi: a guide to SMILES augmentation. Find the optimal SMILES augmentation for accurate molecular prediction.☆34Updated last year
- A deep learning framework for predicting interactions between protein-protein interaction targets and modulators☆14Updated last year
- The official PyTorch implementation of PGMG: A Pharmacophore-Guided Deep Learning Approach for Bioactive Molecule Generation.☆64Updated last year