Schrödinger Suite Workshop 2025

This year’s Schrödinger Workshop will be composed of a set of ”mini-workshops” to better cover the diverse interests of CSC’s user base.

After a general introduction to Schrödinger Maestro for all, including both life science and materials science suites, the participants will group up based on their areas of interest and level of experience to work in mini-workshops on life science topics such as:

Virtual Screening
Computational Target Analysis & system preparation
Computational Structure Prediction
Molecular Dynamics applications
Lead optimization and Medicinal Chemistry design
Working with Immunotherapeutics

On the materials science side we’ll focus on pharmaceutical formulation, consumer packaged goods, and general polymer/soft matter applications with topics like:

Building and equilibrating complex organic systems
Properties of solid amorphous materials
Properties of structured liquids on the atomistic level
Building coarse-grained systems and automated parameter fitting
Applications of coarse-grained simulations

Experts from Schrödinger Inc. will be available to help out, answer questions, share insights and make case-specific recommendations for participants interested in topics not covered by the selection above.

The aim is that everyone has a chance to try 2–3 mini-workshops per day. At the end of each day there will be one hour reserved for working on your own data and systems and start applying what you’ve learned.

This ”hackathon”-like workshop set-up will give plenty of opportunities for participants to work together in the room throughout the event, hopefully sparking conversations and allowing you to network. On-site participation is thus heavily encouraged. Lunches will be included.

Preparation

All material for the workshop will be provided on the day. It is recommended that beginners watch the ”Getting going with Maestro/MS Maestro” video series to familiarize themselves with the interfaces of the Schrödinger suite for life science and material science, respectively.

Also note that CSC has a limited number of free-of-charge seats for introductory-level Schrödinger Online Certification courses available upon application. Apply for a course coupon here.

Remote participants will need to install Schrödinger Maestro locally themselves. The same applies if you intend to use your own laptop on-site instead of provided workstations. If you’re an academic user affiliated with a Finnish higher-education institute, see our Maestro page in Docs CSC for installation instructions, as well as general details on using Maestro in CSC’s computing environment.

Schedule

Day 1: Wed, Nov 26 2025

09:00 Registration at the reception (on-site participants)
09:30 Workshop Day 1 start
12:00 Lunch
13:00 Workshop Day 1 continued
15:00 Closing

Day 2: Thu, Nov 27 2025

09:30 Workshop Day 2 start
12:00 Lunch
13:00 Workshop Day 2 continued
15:00 Closing & goodbyes