Announcement stream

Reminder announcement

• posted to OpenFF slack #general on 2022_09_23 15:59 Los Angeles

@channel As a reminder, we have two interactive workshops next week!

• “Biopolymer showcase and simulating a covalently modified protein” on Tuesday Sept 27 at 3 PM San Francisco

• “Interchange showcase” on Wednesday Sept 28 at 8 AM San Francisco

No RSVP is needed! For details on how to join, see the above post. Zoom links and workshop materials will be posted on the linked pages 24 hours before the workshops run.Also, we’re pleased to announce the release of the Open Force Field Toolkit version 0.11.1! This is a minor release that cracks down on loading radicals (a common source of misformatted/misinterpreted molecules). Detailed release notes are available at https://open-forcefield-toolkit.readthedocs.io/en/0.11.1/releasehistory.html

Initial announcement

• posted to OpenFF slack #general on 2022_09_14 10:44 Los Angeles

• Sent via email to OpenFF ad board on Wed, Sep 14, 1:09 PM

From late September through October, OpenFF will run a series of Follow-up Workshops to our annual meeting. These are interactive 3 hour Zoom sessions led by the creators and maintainers of OpenFF tools, focused on specific topics of interest. The workshops are hands-on, meaning that you will run the tools on your own computer. The workshops will begin with scripted content (such as slides and prepared examples) for the first 1-2 hours, and the remainder of the time will be an attendee-driven hackathon where OpenFF developers will support your further experimentation.

There are three follow-up workshop topics that were selected this year:

• An Interchange introduction and tutorial

• A session on biopolymer support in OpenFF Toolkit 0.11, showing advanced usage by parameterizing and simulating a protein with a post-translational modification (PTM)

• An example session on using BespokeFit and incorporating it into your workflows

Please find the dates and times for these workshops here. Workshops with multiple occurrences will cover the same material each time, so just attend the one that works best for your time zone.

No RSVP is necessary to attend these workshops, and interested users from our industrial partners and the molecular modeling community are invited to attend! Save the links above, as Zoom URLs and installation instructions will be posted to them 24 hours in advance of each workshop.

The materials from all of these will be made available afterwards in case you’re unable to attend them live.