User-friendly extensions of the DrugBank database
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May 17, 2019 - HTML
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drugbank
Here are 37 public repositories matching this topic...
[Bioinformatics 2021] This is the repo for the paper `SumGNN: Multi-typed Drug Interaction Prediction via Efficient Knowledge Graph Summarization'.
bioinformatics knowledge-graph drug-discovery drugbank subgraph graph-neural-networks drug-drug-interaction gnn biomedical-knowledge-graph biosnap twosides
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Jul 25, 2024 - Python
Don't worry about DrugBank licensing - write code that knows how to download it automatically (warning: DrugBank isn't currently available for free for academics)
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May 22, 2026 - Python
3D hotspot mutation proximity analysis tool
analysis cancer clustering perl protein-structure ensembl mutations pymol hgnc disease drug drugbank hotspot uniprot blat 3d-proximity proximity-search genomic drugport
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Mar 31, 2023 - Perl
Bi-Level Graph Neural Networks for Drug-Drug Interaction Prediction. ICML 2020 Graph Representation Learning and Beyond (GRL+) Workshop
deep-learning drugbank representation-learning graph-convolutional-networks icml graph-attention-networks graph-neural-networks drug-drug-interaction covid-19
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Oct 6, 2020 - Python
drugbank相关数据的处理，包括获取药物sdf结构文件，drug相关信息，drug作用相关蛋白信息，drugbank中drug id与其他数据库的映射，protein蛋白相关信息到其他数据库的映射
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Jun 22, 2021 - Python
PyPI Package: An easy-to-use medication/drug code mapping tool
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Aug 17, 2023 - Python
A Bio2BEL package for DrugBank (https://www.drugbank.ca)
cheminformatics pharmacology systems-biology drugbank drugs terminology biological-expression-language networks-biology
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Dec 14, 2020 - Python
Always hungry SDF chemical file format parser with many output formats
java cli parser database neo4j cheminformatics docker-image jar data-structures drugbank sdf cypher chemical-elements periodic-table parsers chemical-data chebi cvme sdf-files molecularentity
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Oct 16, 2025 - Java
QSAR models and putative agents identified against SARS-CoV-2
machine-learning drugbank drugs hits qsar virtual-screening covid-19 covid19 sars-cov-2 sars-cov mpro
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Mar 29, 2022 - Jupyter Notebook
ISCMF: Integrated Similarity-Constrained Matrix Factorization for Drug-Drug Interaction Prediction
machine-learning bioinformatics matrix-factorization feature-extraction classification drug-discovery drug-repurposing drug drugbank drugs similarity-measures drug-design manifold-learning link-prediction matrix-decompositions drug-similarity drug-drug-interaction drug-target-interactions iscmf
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Mar 3, 2021 - Python
The drugbank database is stored locally with es to provide highly customizable searches！
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Jan 4, 2019 - Python
pytorch drug-repurposing drugbank attention-mechanism network-embedding graph-convolutional-networks graph-neural-networks drug-target-interactions
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Mar 27, 2026 - Python
Covid 19 Drugbank Selected Possible Drugs
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Apr 10, 2024 - R
This project presents a Graph Neural Network (GNN)-based framework for predicting Drug-Drug Interactions (DDIs) using pretrained SMILES embeddings and Graph Attention Networks (GAT). Given the limitations of clinical studies and traditional computational methods in detecting complex DDIs.
machine-learning deep-learning python3 pytorch embeddings drugbank smiles gnn t5 molecular-representation sbert biosnap simcse deepseek chemberta
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Sep 20, 2025 - Jupyter Notebook
Step1-Step6 preprocessing workflow and final FAERS compound-PT-SOC core graph releases with standardized compounds, MedDRA PT/SOC mapping, and three pruned graph versions.
knowledge-graph drugbank compound pt data-preprocessing soc smiles rxnorm pharmacovigilance inchikey biomedical-data faers meddra adverse-drug-reactions heterograph
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Apr 23, 2026 - Python
A drugs interactions network analysis
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Jul 2, 2020 - MATLAB
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