ifyoungnet / ADMETlabLinks
A platform for systematic ADME evaluation of drug molecules, thereby accelerating the drug discovery process.
☆73Updated last year
Alternatives and similar repositories for ADMETlab
Users that are interested in ADMETlab are comparing it to the libraries listed below
Sorting:
- RF-Score-VS - Random forest based protein-ligand scoring function for Virtual Screening☆49Updated 6 years ago
- DockStream: A Docking Wrapper to Enhance De Novo Molecular Design☆122Updated 2 years ago
- 3D pharmacophore signatures and fingerprints☆107Updated 3 months ago
- Implementation of Lilly Medchem Rules - J Med Chem 2012☆90Updated 5 months ago
- ☆93Updated 6 months ago
- ☆30Updated last year
- ☆51Updated 2 years ago
- 3D ligand-based pharmacophore modeling☆50Updated 3 months ago
- An integrated negative design python library for desirable HTS/VS database design☆45Updated 2 years ago
- ☆33Updated last year
- MD pharmacophores and virtual screening☆33Updated last year
- Accurate ADMET Prediction with XGBoost☆38Updated 2 years ago
- ☆33Updated 3 years ago
- The graph-convolutional neural network for pka prediction☆82Updated last year
- ☆76Updated 2 years ago
- Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina☆52Updated 2 months ago
- Ligand bioactivity prediction☆58Updated last year
- ☆31Updated 5 years ago
- This is a machine-learning based protein-ligand scoring function.☆51Updated 4 years ago
- Open-source tool for synthons-based library design.☆81Updated 7 months ago
- Speed virtual screening by 50X☆95Updated 2 years ago
- eMolFrag is a molecular fragmentation tool based on BRICS algorithm written in Python.☆49Updated 4 years ago
- Code to perform scaffold hopping and virtual screening using WHALES descriptors.☆31Updated 4 years ago
- Smash molecule and obtain significant fragments☆18Updated 4 years ago
- Python for chemoinformatics☆51Updated 6 years ago
- Kinase-focused fragment library☆65Updated last month
- ☆17Updated 7 months ago
- De novo drug design with deep interactome learning☆36Updated 2 months ago
- ☆38Updated 4 years ago
- ☆28Updated 2 years ago