2nd Open Force Field Consortium Workshop
School of Pharmacy, UC San Diego
Aug 30 - Sep 1, 2019
OPEN FORCE FIELD CONSORTIUM
PRINCIPAL INVESTIGATORS
INDUSTRY / AD BOARD
CONSULTANTS
BASF
Bayer
Boehringer-Ingelheim
Bristol-Myers Squibb
Janssen
Merck KGaA
John Chodera (MSKCC)
Michael Gilson (UC San Diego)
David Mobley (UC Irvine)
Michael Shirts (CU Boulder)
Lee-Ping Wang (UC Davis)
Christopher Bayly (OpenEye)
Chris Muzny (NIST)
Pfizer
Qulab
Roche
Vertex
XtalPi
Daniel G. A. Smith
(MolSSI Software Scientist)
T. Daniel Crawford
(MolSSI Director)
Ian Craig
Katharina Meier
Thomas Fox
Doree Sitkoff
Herman Van Vlijmen
Daniel Kuhn
Xinjun Hou
Alireza Shabani
Jérôme Hert
Arjun Narayanan
Shuai Liu
OPEN FORCE FIELD TEAM
SOFTWARE SCIENTISTS
Jeff Wagner
(OpenFF / UC Irvine)
Karmen Condic- Jurkic (MSKCC)
PROJECT MANAGER
RESEARCHERS
RESEARCHERS
Chaya Stern (MSKCC)
David Hahn (Janssen)
David Slochower (UCSD)
Hyesu Jang (UC Davis)
Jessica Maat (UC Irvine)
Jordan Ehrman (UC Irvine)
Josh Fass (MSKCC)
Michael Schauperl (UCSD)
Owen Madin (CU Boulder)
Simon Boothroyd (MSKCC)
Victoria T. Lim (UC Irvine)
Yudong Qiu (UC Davis)
Daniel G. A. Smith (MolSSI)
OPEN FORCE FIELD ALUMNI
RESEARCHERS
Andrea Rizzi (MSKCC)
Caitlin Bannan (UC Irvine)
Camilla Zanette (UC Irvine)
Katy Kellet (UCSD)
WORKSHOP GOALS AND STRUCTURE
Agenda printouts on tables
Day 1
Morning: Progress updates
Afternoon: Discussion of morning talks and other topics
6:00 pm Dinner at nearby Rock Bottom Brewery (walkable)
Day 2
Morning: Closed Ad Board meeting; future directions; machine learning FFs
Afternoon: Open discussion and hands on with the OpenFF toolkit
Day 3: Internal OpenFF Team work
PRACTICALITIES
Meals: Breakfast, mid-morning snack, lunch, mid-afternoon snack, Day 1 dinner
WiFi: UCSD Guest Network
Bathrooms: around the corner
Other local issues: ask a UCSD native
RECORDING CONSENT