Simon Elliott presenting how high throughput computational screening can help in the search for better ALD precursor molecules.Īccording to Simon Elliott, "Schrödinger’s Materials Science platform has specialized structure builders for everything from soft polymers to hard surfaces, smoothly interfacing with efficient molecular mechanics or quantum mechanics computations." Both workshops were streamed online for remote participants. The January workshop covered basic usage for Materials Science and featured case examples related to atomic layer deposition (ALD), which is a particular speciality of Finnish materials R&D. The November workshop targeted the Drug Discovery and Small Molecule researchers and it started with a beginner’s day followed by another with advanced topics. Laura Scarbath-Evers to bring new users up to speed on the best ways to apply the software. In November 2019 and January 2020 CSC organized training events with Schrödinger specialists Dr. Hands-on workshops to facilitate newcomers and power users
#Schrodinger software suite software#
Schrödinger software has already been used in Finland in several research groups and companies for years, but especially new users will benefit from a wide selection of training materials. An integrated graphical user interface allows users to design and run multi-stage workflows to be run on supercomputers. Schrödinger’s software platform integrates first-in-class solutions for predictive modeling, data analytics, and collaboration to enable rapid exploration of chemical space. The Maestro GUI can be downloaded and installed on your local computer and heavier calculations or complete modeling workflows can be run on CSC’s Puhti supercomputer. Please, check out also the rest of the application portfolio at /apps Maestro is available on Puhti, and also for local installation At the same time, we have scaled down licenses for Biovia's Discovery Studio and Materials Studio.
#Schrodinger software suite for free#
Starting January 1st, 2020, Schrödinger’s Maestro GUI, Small Molecule Drug Discovery, and Materials Science software applications are available for free for all academic users in Finland.