News
Webinar by Pankaj R. Daga: Data Curation - The Forgotten Practice in The Era of AI (Sep 13, 2019)Posted on 19 Aug 2019
by Karmen Condic-Jurkic
Pankaj R. Daga will give a talk at UC Irvine on Sep 13 at 11 am (PT) about importance of data curation in the age of AI
Webinar by Vytautas Gapsys: Benchmarking binding free energy calculations for protein-ligand systems (Aug 21, 2019)Posted on 19 Aug 2019
by Karmen Condic-Jurkic
Vytautas Gapsys will give a talk at UC Irvine on Aug 21 at 11 am (PT) on his work on binding free energy calculations.
The Open Force Field Toolkit 0.5.0, adding GBSA supportPosted on 16 Aug 2019
by Jeff Wagner
Major OFF Toolkit milestone, adding support for implicit solvation.
Aug 2019 Open Force Field Consortium WorkshopPosted on 30 Jun 2019
by Karmen Condic-Jurkic
Second Open Force Field Consortium Workshop in San Diego, August 30-31 (Sep 1), 2019.
Webinar by Chaya Stern: Fragmenting molecules for QC torsion drives (Jun 4, 2019)Posted on 24 May 2019
by Karmen Condic-Jurkic and Chaya Stern
Chaya Stern gives a webinar about her work done on molecular fragmentation and torsion drive pipeline on Jun 4 at 11 am (EDT)
The 0.2.0 Toolkit release, now with RDKit support!Posted on 8 Apr 2019
by Jeff Wagner
Release of major new toolkit version, with open-source cheminformatics support.
Open Force Field Initiative applies for NIH fundingPosted on 16 Mar 2019
by John Chodera
The Open Force Field Initiative has applied for NIH R&D funding to produce modern toolkits and high-quality biomolecular force fields to model complex heterogeneous biomolecular systems
Jan 2019 Open Force Field Consortium WorkshopPosted on 6 Oct 2018
by John D. Chodera
Open Force Field Consortium Workshop in San Diego, January 7-8, 2019.
Webinar on the SMIRNOFF format and learned chemical perception Oct. 10Posted on 6 Oct 2018
by David L. Mobley
MolSSI fellow Caitlin Bannan gives a BioExcel webinar this Oct. 10 on her work with the Initiative
Announcing the Open Force Field ConsortiumPosted on 1 Oct 2018
by Lee-Ping Wang
The Open Force Field Consortium is a new academic-industry collaboration to fund the Open Force Field Initiative.