Roadmap and scientific output from the Open Force Field Initiative
Read about where we’re headed.
Roadmap Presentation at January 2019 Consortium Workshop [DOI]
- Open Force Field Initiative: Fragmenting molecules for QC torsion drives, Chaya Stern, Chodera lab group meeting (webinar), Jun 4, 2019. YouTube
- Visit the January 2019 Consortium Workshop agenda page to view nine talks presented by Open Force Field Initiative PIs, postdocs, and students on current progress and plans of our collaboration. San Diego, CA; Jan. 7-8, 2019.
- Open Force Field Initiative: A brief update on our progress and plans, David Mobley, OpenEye MiniCUP Meeting, San Diego, CA, Oct. 2018.
- Open Force Field Initiative: The SMIRNOFF format and learned chemical perception, Caitlin Bannan, BioExcel Centre of Excellence for Computational Biomolecular Research webinar, Oct. 10, 2018. YouTube
- Read more about our proposal to extend our approach to complex heterogeneous biomolecular systems in our NIH Focused Technology Research & Development R01 proposal, submitted 5 Mar 2019: PDF
- Torsions subgroup meetings take place every other Tuesday at 2 pm EDT (the next meeting is on July 23);
- Property Calculator subgroup meetings take place every other Thursday at 12 pm EDT (the next meeting is on July 25);
- QCFractal User Group meetings take place every Friday at 3.15 pm EDT;
- Charge model meetings take place at irregular intervals.
Please contact Karmen at email@example.com or firstname.lastname@example.org if you are interested to participate in any of the listed meetings.
Posted on 16 Jul 2019 by Karmen Condic-Jurkic
Details of the first force field optimization sprint
Torsion Meeting Summary (Jul 9, 2019)
Posted on 9 Jul 2019 by Karmen Condic-Jurkic and Jeffrey Wagner
Summary from torsion subgroup meeting on July 9, 2019
Property Estimator Meeting Summary (Jun 27, 2019)
Posted on 8 Jul 2019 by Karmen Condic-Jurkic, Owen Madin and Jeff Wagner
Summary from PropertyCalculator subgroup meeting on June 27, 2019
Towards New Fixed Charge Models
Posted on 5 Jul 2019 by Michael Schauperl
An update from the electrostatic subgroup on fixed charge models based on RESP fitting