tag:joss.theoj.org,2005:/papers/tagged/Pharmaceutical%20ScienceJournal of Open Source Software2021-04-15T16:28:08ZJournal of Open Source Softwarehttps://joss.theoj.orgtag:joss.theoj.org,2005:Paper/23732021-04-15T16:28:08Z2021-04-16T00:03:06Zkallisto: A command-line interface to simplify computational modelling and the generation of atomic featuresacceptedv1.0.12021-02-05 11:38:42 UTC602021-04-15 16:28:08 UTC620213050EikeCaldeweyherData Science and Modelling, Pharmaceutical Science, R&D, AstraZeneca, Gothenburg, Sweden0000-0002-3985-595X10.21105/joss.03050https://doi.org/10.5281/zenodo.4692147Pythonhttps://joss.theoj.org/papers/10.21105/joss.03050.pdfPoetry, Atomic Features, Machine Learning, Computational Chemistry, Pharmaceutical Science