Curated list of awesome lists
Awesome Computational Biology 
A knowledge collection of databases, software and papers related to computational biology.
Computational biology involves the development and application of data-analytical and theoretical methods,
mathematical modelling and computational simulation techniques to the study of biological, ecological,
behavioural, and social systems. - Wikipedia
Contents
Databases
Compound
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PubChem - One of the biggest chemical database such as compounds, genes and proteins.
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ChEBI - Chemical database focused on small chemical compounds.
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ChEMBL - Database of bioactive molecules with drug-like properties.
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ChemSpider - Chemical structure database.
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KEGG COMPOUND - Collection of small molecules and biopolymers.
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LIPID MAPS - Database of lipids.
Pathway
Mass Spectra
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MassBank - Open souce databases and tools for mass spectrometry reference spectra.
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MoNA MassBank of North America - Meta database of metabolite mass spectra, metadata and associated compounds.
Protein
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THE HUMAN PROTEIN ATLAS - One of the biggest human protein database contained cells, tissues, and organs.
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PROTEIN DATA BANK - Database of the 3D shapes of proteins, nucleic acids, and complex assemblies.
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UniProt - The collection of functional information on proteins.
Genome
Disease
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KEGG DRUG - Comprehensive drug information resource for approved drugs.
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DrugBank - A database of drug and target maintained by the University of Alberta.
Interaction
- Drug Gene Interaction
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DGIdb - A database of drug-gene interactions and the druggable genome.
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Comparative Toxicogenomics Database - A database of Chemical-gene interactions, Chemical-disease associations, Gene-disease associations, and Chemical-phenotype associations.
- Chemical Protein Interaction
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STITCH - A database of Chemical Protein Interaction.
Preprocess
Machine Learning Tasks and Models
Drug Repurposing
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DeepPurpose - A DL Library for Drug Repurposing and so on.
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DRKG - A library for biological knowledge graph.
Drug Target Interaction
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NeoDTI - A library for Drug Target Interaction.
Compound Protein Interaction
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MCPINN - A library for drug discovery using Compound Protein Interaction and Machine Learning.
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TransformerCPI - A library for Compound Protein Interaction prediction using Transformer.