open force field

An open and collaborative approach to better force fields

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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 funding

Posted 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 Workshop

Posted 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. 10

Posted 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 Consortium

Posted 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.


Support for open source cheminformatics toolkits is coming!

Posted on 30 Sep 2018 by John Chodera

A rundown of coming changes and improvements in the openforcefield toolkit.


Introducing the Open Force Field Initiative

Posted on 21 Sep 2018 by John Chodera

The Open Force Field Initiative is an open effort to develop better biomolecular force fields focusing on open source, open science, and open data.


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