Things to Make and Do with OpenFF - 2024 Mini-Workshop Open Force Field Initiative 451 подписчик Скачать
Owen Madin - Future directions in parameterization: Bayesian inference with surrogate modeling Скачать
Chaya Stern - Capturing non-local through-bond effects when fragmenting molecules for torsion scans Скачать
OFF webinar by Andreas Krämer: Automated Optimization Approaches for the CHARMM Lipid Force Field Скачать
OFF webinar by Falk Hoffmann: Using NMR relaxations to improve FF parameters for methyl rotations Скачать
09 - Olexandr Isayev - Artificial Intelligence (AI) Solutions for Computational & Organic Chemistry Скачать
08 - John Chodera - Future parameterization perspective: Year two and beyond (OFFCW Aug 2019) Скачать
05 - Simon Boothroyd - Parameterization Perspective II: The Property Estimator (OFFCW Aug 2019) Скачать
04 - Lee-Ping Wang - Parameterization perspective I: Parameterization Methodology (OFFCW Aug 2019) Скачать
