smu-tao-group / ADMET_XGBoostLinks
Accurate ADMET Prediction with XGBoost
☆35Updated 2 years ago
Alternatives and similar repositories for ADMET_XGBoost
Users that are interested in ADMET_XGBoost are comparing it to the libraries listed below
Sorting:
- ☆35Updated 2 months ago
- Implementation of CycPeptMP, an accurate and efficient model for predicting the membrane permeability of cyclic peptides☆22Updated 3 weeks ago
- DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.☆42Updated last year
- Graph variational encoders for drug engineering and potentiation☆29Updated last year
- A platform for systematic ADME evaluation of drug molecules, thereby accelerating the drug discovery process.☆69Updated 11 months ago
- Incorporation of conformational space profile into molecular representation learning, and its application to drug discovery, including vi…☆53Updated 2 weeks ago
- ☆28Updated last year
- ☆56Updated last year
- MGA☆43Updated 4 years ago
- Official implementation for ActFound (Nature Machine Intelligence): A bioactivity foundation model using pairwise meta-learning☆42Updated 7 months ago
- A deep learning framework for predicting interactions between protein-protein interaction targets and modulators☆14Updated last year
- ☆28Updated 2 years ago
- ☆18Updated 2 years ago
- ☆45Updated 3 weeks ago
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆44Updated last year
- ☆60Updated last year
- ☆17Updated 2 years ago
- ☆26Updated 2 years ago
- De novo drug design with deep interactome learning☆35Updated 11 months ago
- ☆18Updated last year
- ☆32Updated 2 years ago
- List of papers about Peptide research using Deep Learning☆25Updated last month
- ☆20Updated 2 years ago
- Kinase–drug binding prediction with calibrated uncertainty quantification☆23Updated last year
- ☆38Updated last year
- ☆74Updated last year
- ☆33Updated last year
- OnionNet-2 is constructed based on convolutional neural network (CNN) to predict the protein-ligand binding affinity.☆18Updated last year
- Code and datasets from the manuscript "Comparing IC50 or Ki values from different sources is a source of significant noise".☆39Updated last year
- ☆43Updated 3 years ago