cthoyt / drugbank-downloaderLinks
Don't worry about DrugBank licensing - write code that knows how to download it automatically
☆59Updated 8 months ago
Alternatives and similar repositories for drugbank-downloader
Users that are interested in drugbank-downloader are comparing it to the libraries listed below
Sorting:
- Write reproducible code for getting and processing ChEMBL☆83Updated last month
- Source code and data repository for "Ensembles of knowledge graph embedding models improve predictions for drug discovery"☆20Updated last year
- User-friendly extensions of the DrugBank database☆193Updated 6 years ago
- Source code and data files for manuscript titled "Pharmaceutical patent landscaping: A novel approach to understand patents from the drug…☆14Updated last year
- A database of paths that represent the mechanism of action from a drug to a disease in an indication.☆65Updated 5 months ago
- Protein target prediction using random forests and reliability-density neighbourhood analysis☆41Updated 5 years ago
- This repository provides an implementation of the DTiGEMSplus tool, a network-based method for computational Drug-Target Interaction pred…☆27Updated 4 years ago
- ☆18Updated last year
- Python implementation of common ADME properties.☆37Updated 2 years ago
- 🌶️ An ecosystem in Python for working with the Biological Expression Language (BEL)☆137Updated last year
- ☆58Updated 4 years ago
- DrugGPT: A GPT-based Strategy for Designing Potential Ligands Targeting Specific Proteins☆120Updated 8 months ago
- MassSpecGym: A benchmark for the discovery and identification of molecules (NeurIPS 2024 Spotlight)☆94Updated this week
- Interpretable bilinear attention network with domain adaptation improves drug-target prediction.☆131Updated 2 years ago
- MolMapNet: An Efficient ConvNet with Knowledge-based Molecular Represenations for Molecular Deep Learning☆143Updated this week
- A large benchmark dataset, Blood-Brain Barrier Database (B3DB), complied from 50 published resources.☆69Updated last month
- Free and open-source application (command line and GUI) providing QSAR models predictions as well as applicability domain and accuracy as…☆111Updated 3 months ago
- A unified framework for predicting drug-target interactions, binding affinities and activation/inhibition mechanisms.☆49Updated 3 months ago
- [Briefings in Bioinformatics] A Survey of Generative AI for de novo Drug Design☆88Updated 11 months ago
- The MinHashed Atom Pair fingerprint of radius 2☆117Updated 2 years ago
- Predicting Drug Protein Interaction using Quasi-Visual Question Answering System☆125Updated last year
- Top open source software from the top 50 pharmaceutical companies☆66Updated last year
- Protwis is the backbone of the GPCRdb. The GPCRdb contains reference data, interactive visualisation and experiment design tools for G pr…☆43Updated 3 weeks ago
- Graph Network for protein-protein interface☆120Updated last year
- a novel DTA predition method using graph neural network☆76Updated 2 years ago
- The MolE pre-training framework to learn general molecular representations from unlabeled structures☆12Updated 5 months ago
- Recursion's molecular foundation model☆62Updated 4 months ago
- ☆57Updated last year
- ☆32Updated 6 years ago
- ImageMol is a molecular image-based pre-training deep learning framework for computational drug discovery.☆55Updated 8 months ago