Open Force Field Initiative
Published May 1, 2020 | Version v1
Presentation Open

Update on Parsley minor releases (openff-1.1.0, 1.2.0)

Creators

  • 1. University of California Davis

Contributors

  • 1. University of California Irvine
  • 2. Entos
  • 3. University of California Davis
  • 4. Molecular Software Sciences Institute
  • 5. OpenEye

Description

This presentation is a part of the Open Force Field Virtual Meeting 2020.

Abstract: Valence parameter re-fitting was done with (1) parameter definition adjustments and (2) newly designed QM training set and the validation of improved performance was carried out.

Files

2020-05-01-HyesuJang.mp4

Files (223.1 MB)

Name Size Download all
md5:9e8b10c510f2ff5d045b637606101dbb
217.1 MB Preview Download
md5:24f929fc80ec2e0f172a7bb04fbc9230
6.0 MB Preview Download

Additional details

Related works

Has part
Video/Audio: https://youtu.be/mUilaZiMoF4 (URL)