JOSS Papers: cheminformatics

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3294
 Published Papers
2909
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385
published Published about 1 year ago

Project RACCOON: Automated construction of PDB files for polymers and polymer peptide conjugates

Jupyter Notebook Python Bikeshed
@moritzobenauer
10.21105/joss.06293
published Published over 1 year ago

Machine Learning Validation via Rational Dataset Sampling with astartes

Python
@JacksonBurns
10.21105/joss.05996
published Published almost 4 years ago

Bacting: a next generation, command line version of Bioclipse

Java
@egonw
10.21105/joss.02558
published Published over 4 years ago

Cocktail Shaker: An open source drug expansion and enumeration library for peptides

Python Jupyter Notebook
@Sulstice
10.21105/joss.01992
Displaying 4 papers

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ISSN 2475-9066