xiaotaw / chembl
Prediction of Potential Inhibitors for Targets(From ChEMBL), Based on Tensorflow.
☆15Updated 6 years ago
Alternatives and similar repositories for chembl:
Users that are interested in chembl are comparing it to the libraries listed below
- 2018 RDKit UGM☆14Updated 6 years ago
- ☆10Updated last year
- Supporting Information of Publications☆14Updated 6 years ago
- ☆10Updated 6 years ago
- Supporting code for the paper «Leveraging molecular structure and bioactivity with chemical language models for drug design»☆11Updated 3 years ago
- Integrative modeling of PROTAC-mediated ternary complex☆24Updated 2 years ago
- Protein-Ligand Interaction Fingerprints☆19Updated 4 years ago
- ☆28Updated 2 years ago
- Matrix factorization and deep learning for molecular property prediction☆13Updated 5 years ago
- Generative RNN for molecule de novo design☆18Updated 3 years ago
- Software tools for fragment-based drug discovery (FBDD)☆27Updated 4 years ago
- ☆10Updated 5 years ago
- 3D molecular fingerprints (E3FP) paper repo☆15Updated 4 years ago
- Benchmark interpretation of QSAR models☆15Updated 2 years ago
- An Integrative Drug Repurposing Pipeline using KNIME and Programmatic Data Access: A case study on COVID-19 Data☆14Updated 4 years ago
- My (small) research project in solubility of drug-like molecules☆18Updated 4 years ago
- Collection of scripts / notebooks to reliably select datasets☆28Updated last year
- ☆26Updated 2 years ago
- Everything to do with the Mur Ligase Project☆29Updated 3 weeks ago
- ☆19Updated 2 years ago
- Derivation of structural alerts from bioactivity data sets☆30Updated 9 years ago
- ☆16Updated 2 years ago
- ProCare: A Point Cloud Registration Approach to Align Protein Cavities☆29Updated 2 years ago
- RDKit code for the JCIM article☆16Updated 11 years ago
- ☆25Updated 5 years ago
- ☆9Updated 3 years ago
- A platform for systematic ADME evaluation of drug molecules, thereby accelerating the drug discovery process.☆63Updated 9 months ago
- Python 3 fork for the preparation scripts contained in AutoDockTools☆20Updated 3 years ago
- ☆26Updated 11 months ago
- ☆12Updated 3 years ago