cclib - A library for parsing and interpreting the results of computational chemistry packages. Colour - Implementing a comprehensive number of colour theory transformations and algorithms. Karate Club - Unsupervised machine learning toolbox for graph structured data. NetworkX - A high-productivity softwa...
16.09.2024 A non-scientific article for a change…but close to my heart:Thoughts on care and career responsibilities, published in Chemistry Views.Thanks Juliane Simmchen and University of Strathclyde folks for the thoughtful and inspiring discussions that led to this article. 01.09.2024 Welcome to...
The data set used for evaluation as well as training was generated from hundreds of peer reviewed scientific articles where the information on more than 2,000 natural products were extracted. The data set was built manually by chemistry specialists that read the articles annotating four relevant pro...
Rules made by the students can be either standard rules, in which all the students were involved, while others can be done by just a small group of students, usually senior students, and force the application of the rules on the rest of the students, of course illegally, for their selfish...
(deuteration)of ele mental samarium and the Laves phase SmMg2,respectively,and investigated by X-ray and neutron powder diffrac tion and SQUID and vibration magne-tometry.The problem of the enormous neutron absorption of the natural iso-topic mixture(~(nat)Sm)is circumvented by carefully ...
for chemistry items covering the topic of molar mass. Identification and exclusion of such items helps to avoid inflated estimations of reliabiliy and to make trait measures independent of the specific items used. A second benefit of the IRT approach is the rich information on item performance, ...
I like her as a person, but I feel like I've given it enough time to know it's not going to work out – I'm just not feeling any chemistry. What's the best and most appropriate way for me to tell her "it's over"? ~ Not Sure Noah Dear Not Sure Noah: Neil Sedaka wasn't...