JOSS Papers: chemistry

All Papers
2046
 Published Papers
1836
 Active Papers
210
published Published 3 months ago

pyCADMium: Chemical Atoms in Diatomic Molecules. A prolate spheroidal Python module for embedding calculations

Python
@VHchavez
10.21105/joss.04459
published Published 4 months ago

RIAssigner: A package for gas chromatographic retention index calculation

Python Jupyter Notebook
@hechth
10.21105/joss.04337
published Published 5 months ago

UnlockNN: Uncertainty quantification for neural network models of chemical systems

Python PureBasic
@a-ws-m
10.21105/joss.03700
published Published 5 months ago

Interface to high-performance periodic coupled-cluster theory calculations with atom-centered, localized basis functions

Fortran
@Evmoerman
10.21105/joss.04040
published Published 7 months ago

PySDM v1: particle-based cloud modeling package for warm-rain microphysics and aqueous chemistry

Python
@piotrbartman
10.21105/joss.03219
published Published 8 months ago

yadg: yet another datagram

Python Rich Text Format
@PeterKraus
10.21105/joss.04166
published Published 8 months ago

tesliper: a theoretical spectroscopist's little helper

Python
@mishioo
10.21105/joss.04164
published Published 9 months ago

SurfinPy 2.0: A Phase Diagram Generator for Surfaces and Bulk Phases

Python
@jstse
10.21105/joss.04014
published Published about 1 year ago

funsies: A minimalist, distributed and dynamic workflow engine

Python Mako
@clavigne
10.21105/joss.03274
published Published over 1 year ago

NoisySignalIntegration.jl: A Julia package for uncertainty evaluation of numeric integrals

Julia
@nluetts
10.21105/joss.03526
Displaying papers 1 - 10 of 30 in total

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ISSN 2475-9066