ncats / ld50-multitaskLinks
Official repository for multitask deep learning models.
☆19Updated 4 years ago
Alternatives and similar repositories for ld50-multitask
Users that are interested in ld50-multitask are comparing it to the libraries listed below
Sorting:
- Code available for the quantitative pharmacophores☆12Updated 2 years ago
- ☆16Updated 2 years ago
- Mol2vec notebooks for use with Binder service☆29Updated 7 years ago
- RDKit code for the JCIM article☆16Updated 11 years ago
- Benchmark interpretation of QSAR models☆15Updated 2 years ago
- Generative RNN for molecule de novo design☆18Updated 3 years ago
- ☆14Updated 3 years ago
- An Integrative Drug Repurposing Pipeline using KNIME and Programmatic Data Access: A case study on COVID-19 Data☆15Updated 4 years ago
- ☆12Updated 6 years ago
- Python API for Pharmer☆12Updated 6 years ago
- Synthetic Accessible Prediction of Organic Compounds based on Graph Attention Mechanism☆22Updated last year
- Collection of scripts / notebooks to reliably select datasets☆28Updated last year
- ☆12Updated 4 years ago
- My (small) research project in solubility of drug-like molecules☆18Updated 4 years ago
- ☆19Updated 7 months ago
- ☆16Updated last year
- Protein-Ligand Interaction Fingerprints☆20Updated 4 years ago
- Modeling Tanimoto distributions for RDKit☆17Updated 5 years ago
- Open Drug Discovery Toolkit (ODDT) Notebooks 101☆19Updated 7 years ago
- Kinome-wide structural pocket similarity☆10Updated 2 years ago
- Matrix factorization and deep learning for molecular property prediction☆13Updated 6 years ago
- Supporting code for the paper «Leveraging molecular structure and bioactivity with chemical language models for drug design»☆11Updated 3 years ago
- Official code for the publication "HyFactor: Hydrogen-count labelled graph-based defactorization Autoencoder".☆18Updated 2 years ago
- Automatic extraction of interacting compound-target pairs from ChEMBL.☆17Updated 2 months ago
- ☆14Updated 2 years ago
- ☆11Updated 2 years ago
- Introduction to Applied Mathematics and Informatics in Drug Discovery (AMIDD)☆32Updated 7 months ago
- Improved Scaffold Hopping in Ligand-based Virtual Screening Using Neural Representation Learning☆21Updated 4 years ago
- ☆10Updated 6 years ago
- Scaffold decoration and fragment linking with chemical language models and RL☆26Updated 4 months ago