ifyoungnet / ADMETlab
A platform for systematic ADME evaluation of drug molecules, thereby accelerating the drug discovery process.
☆60Updated 5 months ago
Related projects ⓘ
Alternatives and complementary repositories for ADMETlab
- ☆85Updated last year
- RF-Score-VS - Random forest based protein-ligand scoring function for Virtual Screening☆48Updated 5 years ago
- MD pharmacophores and virtual screening☆32Updated 11 months ago
- ☆23Updated 9 months ago
- DockStream: A Docking Wrapper to Enhance De Novo Molecular Design☆108Updated last year
- RF-Score-VS binary☆30Updated 6 years ago
- 3D pharmacophore signatures and fingerprints☆102Updated 6 months ago
- ☆30Updated 4 years ago
- 3D ligand-based pharmacophore modeling☆46Updated last year
- Accurate ADMET Prediction with XGBoost☆32Updated last year
- Multi-instance ML for ligand bioactivity prediction☆54Updated 3 months ago
- ☆30Updated 7 months ago
- Implementation of Lilly Medchem Rules - J Med Chem 2012☆84Updated last month
- Protein target prediction using random forests and reliability-density neighbourhood analysis☆40Updated 4 years ago
- MGA☆42Updated 3 years ago
- Kinase-focused fragment library☆64Updated last week
- Incorporation of conformational space profile into molecular representation learning, and its application to drug discovery, including vi…☆42Updated this week
- The graph-convolutional neural network for pka prediction☆66Updated 10 months ago
- Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina☆41Updated this week
- Python package to facilitate the use of popular docking software☆15Updated last year
- Code to perform scaffold hopping and virtual screening using WHALES descriptors.☆31Updated 3 years ago
- Smash molecule and obtain significant fragments☆17Updated 3 years ago
- Pocket-Oriented Elaboration of Molecules: application to CDK8 inhibition☆14Updated last year
- Python package for the analysis of natural and modified peptides using a set of modules to study their sequences☆23Updated last month
- DLSCORE: A deep learning based scoring function for predicting protein-ligand binding affinity☆49Updated last year
- Graph variational encoders for drug engineering and potentiation☆26Updated last year
- ☆45Updated 2 years ago
- ☆56Updated last year
- ☆18Updated last year
- ☆56Updated 8 months ago