JOSS Papers: cheminformatics

All Papers
3470
 Published Papers
3039
 Active Papers
431
published Published about 1 month ago

BESMARTS: A toolkit for data-driven force field design using binary-encoded SMARTS

Python
@trevorgokey
10.21105/joss.06653
published Published over 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 almost 5 years ago

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

Python Jupyter Notebook
@Sulstice
10.21105/joss.01992
Displaying 5 papers

Journal of Open Source Software is an affiliate of the Open Source Initiative.

Journal of Open Source Software is part of Open Journals, which is a NumFOCUS-sponsored project.

Table of Contents
Public user content licensed CC BY 4.0 unless otherwise specified.
ISSN 2475-9066