Rezultaty
In this deliverable we will support the developer and theoretical team with time and knowledge management methods to reduce development time and increase efficiency. In this way, we can ensure that the user requirements are met in time.
Software licenceDocumentation of the licence In this deliverable we will provide a licence for all four use cases of the program including the one box academic usage, the cloud service usage, the SW only and the combined HW SW solution.
Hardware and software performance testsDocumentation and method of measurements This deliverable will clearly show that our software has two orders of magnitude overall speedup compared to our competitors in terms of accuracy.
Testing by early adoptersDocumentation and method of measurements In this deliverable we will test the software in its working environment with the help of its early adopters. After this phase we can ensure that all constraints emerging from a typical workflow is eliminated.
User manualDocumentation In this deliverable we will provide a user manual which contains all the information for the users to use the program in every interface and use case.
Project management and coordinationPeriodic and final reports D4.1.1 First annual periodic report (M12) D4.2.2. Second annual periodic report and final report (M29)
Graphical User InterfaceUser guide documentation In this deliverable we will provide an interface with the widely used graphical chemical program Avogadro. The user should submit calculations through a graphical interface and visualize the results at the same place.
Patent, conference and journal publications, website documentation D.4.3.1 - Initial press release (M1) D.4.3.2 - Final press release (M29)
Documentation and method of measurements In this deliverable we will provide results that clearly show that our program is capable of calculating docking information directly used by pharmaceutical researchers and companies.
User guide documentation for installation This deliverable will produce a solution for the user to easily install our program on the widest spectrum of hardware and operating systems in a “next, next, ok” fashion.
Publikacje
Autorzy:
István Ladjánszki, Ádám Rák, Gergely Kis, Gábor János Tornai, Zhengting Gan and György Cserey
Opublikowane w:
2017
Wydawca:
NVIDIA GPU Technology Conference
Autorzy:
Tornai, Gabor Janos; Ladjanszki, Istvan; Rak, Adam; Kis, Gergely; Cserey, György
Opublikowane w:
Journal of Chemical Theory and Computation, Numer submitted to the journal, 2018, Strona(/y) submitted to the journal, ISSN 1549-9618
Wydawca:
American Chemical Society
Prawa własności intelektualnej
Numer wniosku/publikacji:
US
20150128151A1
Data:
2012-05-31
Wnioskodawca/wnioskodawcy:
STREAMNOVATION SZOFTVERFEJLESZTO KFT
Numer wniosku/publikacji:
US
20150128151A1
Data:
2012-05-31
Wnioskodawca/wnioskodawcy:
STREAMNOVATION SZOFTVERFEJLESZTO KFT
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