Wyszukiwarka
Filtry
wszystkich: 166
wybranych: 3
-
Katalog
Filtry wybranego katalogu
Wyniki wyszukiwania dla: DATA SCALING
-
Raw data for the paper "Mutually polarizable QM/MM model with in situ optimized localized basis functions"
Dane BadawczeThis dataset contains raw data used to generate plots in the paper Mutually polarizable QM/MM model with in situ optimized localized basis functions. The paper is devoted to a second generation of the TINKTEP model -- an QM/MM approach combining linear-scaling DFT (ONETEP) and a polarizable force field (AMOEBA).
-
RS-REMD Protein-GAG Interaction Dataset in CHARMM36m
Dane BadawczeThe dataset includes input files, simulation parameters, and analysis scripts used in Repulsive Scaling Replica Exchange Molecular Dynamics (RS-REMD) simulations to study protein–glycosaminoglycan (GAG) interactions. In this study, the RS-REMD method was applied for molecular docking of GAGs and carbohydrates to selected protein targets. Molecular Mechanics...
-
Vident-synth: a synthetic intra-oral video dataset for optical flow estimation
Dane BadawczeWe introduce Vident-synth, a large dataset of synthetic dental videos with corresponding ground truth forward and backward optical flows and occlusion masks. It can be used for: