GIST-CSBL / BayeshERGLinks
BayeshERG Official Repository
☆16Updated 8 months ago
Alternatives and similar repositories for BayeshERG
Users that are interested in BayeshERG are comparing it to the libraries listed below
Sorting:
- ACGCN: Graph Convolutional Networks for Activity Cliff Prediction Between Matched Molecular Pairs (Park et al., 2022)☆20Updated 3 years ago
- ☆17Updated 3 years ago
- Drug-Target Interactive Prediction Model using ChemBERTa and ProtBert☆16Updated last year
- 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
- Autoregressive fragment-based diffusion for target-aware ligand design☆32Updated last year
- COMA: Efficient Structure-constrained Molecular Generation using Contractive and Margin losses☆18Updated 2 years ago
- ☆17Updated last year
- ☆28Updated 2 years ago
- ☆15Updated 3 years ago
- ☆12Updated 3 years ago
- ☆15Updated 2 years ago
- Structure-based drug design based on Retrieval Augmented Generation☆24Updated 3 months ago
- ☆22Updated 2 years ago
- ☆12Updated last year
- Few-shot machine learning for low-data drug discovery.☆19Updated 3 years ago
- ☆41Updated 5 years ago
- Benchmarking compound activity prediction for real-world drug discovery applications☆14Updated last year
- UROP Project @ Coley Group☆27Updated 3 years ago
- MolKGNN is a deep learning model for predicting biological activity or molecular properties. It features in 1. SE(3)-invariance 2. confor…☆14Updated 2 years ago
- ☆22Updated last year
- Enhanced Thompson Sampling☆12Updated 9 months ago
- Optimization of binding affinities in chemical space for drug discovery☆35Updated 3 years ago
- ProCare: A Point Cloud Registration Approach to Align Protein Cavities☆30Updated 3 years ago
- Molecule Optimization via Fragment-based Generative Models☆43Updated 2 years ago
- My (small) research project in solubility of drug-like molecules☆17Updated 5 years ago
- ☆17Updated 3 years ago
- a method for CPI and DTA prediction☆11Updated 3 years ago
- De Novo Drug Design by Iterative Multi-Objective Deep Reinforcement Learning with graph-based Molecular Quality Assessment☆14Updated 2 years ago
- Comprehensive cardiotoxicity prediction tool of small molecules on three targets: hERG, Nav1.5, Cav1.2☆20Updated last year
- ☆12Updated 7 months ago