gu-yaowen / CurrMGLinks
An efficient curriculum learning-based strategy for molecular graph learning
☆17Updated last year
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"☆50Updated 2 years ago
- ☆26Updated last year
- Official github for "Drug-likeness scoring based on unsupervised learning" (Chemical Science)☆19Updated 2 months ago
- FraGAT: a fragment-oriented multi-scale graph attention model for molecular property prediction☆27Updated 4 years ago
- ☆18Updated 3 years ago
- COMA: Efficient Structure-constrained Molecular Generation using Contractive and Margin losses☆18Updated last year
- Pytorch implementation of “MF-SuP-pKa: multi-fidelity modeling with subgraph pooling mechanism for pKa prediction”☆20Updated 2 years ago
- Molecular SMILE generation with recurrent neural networks☆19Updated 11 months ago
- Retrosynthetic prediction with Atom Environments☆37Updated 2 years ago
- MGA☆43Updated 4 years ago
- ☆47Updated 5 years ago
- Molecule Optimization via Fragment-based Generative Models☆42Updated 2 years ago
- ☆18Updated 6 months ago
- Drug-Target Interactive Prediction Model using ChemBERTa and ProtBert☆15Updated 8 months ago
- A Graph Neural Network for molecular property prediction with four levels of Interpretability.☆22Updated last month
- Code for "An adaptive graph learning method for automated molecular interactions and properties predictions".☆40Updated 2 years ago
- ☆16Updated 3 years ago
- ☆23Updated 2 years ago
- The official PyTorch implementation of PGMG: A Pharmacophore-Guided Deep Learning Approach for Bioactive Molecule Generation.☆63Updated last year
- Effective drug-target interaction prediction with mutual interaction neural network☆32Updated 3 years ago
- ☆14Updated 3 years ago
- Code for Single-step Retrosynthesis model Retroprime☆39Updated 4 years ago
- ☆20Updated 2 years ago
- structure-based explanation methods☆26Updated last year
- Supporting code for doi 10.1021/acs.jcim.0c01344☆22Updated 2 years ago
- ☆12Updated last year
- Graph based Reaction Template Extraction☆25Updated last month
- Source code and data of the paper entitled "iCYP-MFE: Identifying Human Cytochrome P450 Inhibitors using Multi-task Learning and Molecula…☆18Updated 2 years ago
- ☆27Updated last year
- ☆59Updated last year