xiaotaw / chemblLinks
Prediction of Potential Inhibitors for Targets(From ChEMBL), Based on Tensorflow.
☆15Updated 7 years ago
Alternatives and similar repositories for chembl
Users that are interested in chembl are comparing it to the libraries listed below
Sorting:
- ☆12Updated 4 years ago
- Supporting code for the paper «Leveraging molecular structure and bioactivity with chemical language models for drug design»☆11Updated 3 years ago
- ☆11Updated 2 years ago
- Protein-Ligand Interaction Fingerprints☆20Updated 4 years ago
- Code available for the quantitative pharmacophores☆12Updated 2 years ago
- My (small) research project in solubility of drug-like molecules☆18Updated 4 years ago
- Supporting Information of Publications☆14Updated 6 years ago
- ☆13Updated 4 years ago
- Generative RNN for molecule de novo design☆18Updated 3 years ago
- De Novo Drug Design by Iterative Multi-Objective Deep Reinforcement Learning with graph-based Molecular Quality Assessment☆14Updated 2 years ago
- ☆14Updated 2 years ago
- Official code for the publication "HyFactor: Hydrogen-count labelled graph-based defactorization Autoencoder".☆18Updated 2 years ago
- Tools and routines to calculate distances between synthesis routes and to cluster them.☆24Updated 4 months ago
- RDKit code for the JCIM article☆16Updated 12 years ago
- An Integrative Drug Repurposing Pipeline using KNIME and Programmatic Data Access: A case study on COVID-19 Data