This Excel file simplifies the calculation of the iJ/DJ-DP4 probability used for the stereochemical assignments in organic molecules: - The file contains 4 sheets: "Main", “Unscaled”, “Scaled” and “Errors” (Figure S1). - The “Main” sheet contains the enabled cells to introduce the experimental and calculated NMR data, and provides the results of the iJ/dJ-DP4 calculations. It is divided in 5 different regions: A, B, C, D and E.-- Region A: user selection (drop down lists):...

Apache License 2.0

Apache License, Version 2.0

Apache License 2.0, January 2004.-- OOI is an implementation the Open Cloud Computing Interface (OCCI) for OpenStack. http://openstack.org

The purpose of this Agreement is to define Parties’ rights and responsibilities regarding the Collaboration. These shall form the fundamental basis of the partnership. This Collaboration has been initiated within the framework of the H2020 funded INDIGO-DataCloud project and shall be continued without financial support from the European Union. It is therefore open to new initiatives and new parties willing to contribute, extend or maintain the INDIGO-DC software components

GNU General Public Licens (GPL)

Apache License Version 2.0, January 2004.-- This has been tested in Ubuntu 14.04 with Python 2.7.12 with the Anaconda 4.2.0 (64-bit) distribution, Theano 0.9.0.dev2 and Lasagne 0.2.dev1.

su2H is a simulation code the SU(2)-Higgs model in 4 dimensions. The algorithm used to update the links is Heat Bath. It offers the possibility to run couplings at next-to-nearest neighbours.

3 Files: 1 .dll, 1 .zip and 1 .pdf file.

GNU General Public Licens (GPL)

ocuatro is a simulation code for the O(4) sigma model in 4 dimensions. Among its features it allows to introduce couplings to second neighbours. The code uses the algorithms of Heat Bath and Overrelaxation.

The program(s) made available on this page may be used under the terms of the GNU General Public Licence (GPL). They are written in C and comply to a large extent with the ISO C (formerly ANSI C, also known as C89) standard. Our simulation program with C* boundary conditions is based on the openQCD simulation program.

Apache License 2.0

1 File: 1 .dll File. The script of the module summarizes 7612 lines in two files (DR2.cpp and DR2.h) that are compiled in one file (DR2.dll).

Apache License Version 2.0, January 2004.

The script is a proof-of-concept and it proves that it can potentially be applied combining datasets and metadata standards like EML. It also exploit REST APIs from repositories and OAI-PMH protocol.