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    • Adding a data plot to a viewport pro - OVITO

    1. https://www.ovito.org
    2. advanced_topics
    3. data_plot

    2024/2/4 -A contributed Python extension is available for OVITO Pro, which allows adding a data plot to a viewport. ... OVITO in a visualization. See also. OVITO ...


    How to obtain a continuum view of SPH particles in OVITO?

    1. https://matsci.org
    2. how-to-obtain-a-continuum-view-of-s...

    2024/3/26 -The graph is much smoother now. Different smooth operations were tried. image1832×797 81.2 KB. The mean operation underestimated the velocity.


    Changelog — OVITO User Manual 3.10.6 documentation

    1. https://www.ovito.org
    2. manual
    3. new_features

    2024/5/3 -OVITO can now import DCD trajectory files, which are written by the CHARMM, NAMD, and LAMMPS simulation codes. OVITO Pro and the OVITO Python module can ...


    Matplotlib

    1. http://ryokbys.web.nitech.ac.jp
    2. pages
    3. matplotlib

    2024/4/15 -jupyter notebookでグラフを描く際のファーストチョイスであるmatplotlibについてメモしておく． The Python Graph Libraryというウェブサイトがあり，どういうグラフ ...


    Crystal structure identification with 3D convolutional neural networks with ...

    1. https://arxiv.org
    2. cond-mat

    2024/5/9 -In this work, we train two neuronal network (NN) architectures, namely PointNet and dynamic graph convolutional NN (DG-CNN) using different hyperparameters and ...


    Robust structural identification via polyhedral template matching

    PDF
    1. https://orbit.dtu.dk
    2. files
    3. pmla_ptm

    2024/7/18 -The convex hull is represented as a planar graph, and this graph is then used ... ovito.org. [23] Ackland G J and Jones A P 2006 Phys. Rev. B 73 054104. [24] ...


    Machine Learning Classification of Local Environments in Molecular ...

    1. https://pubs.acs.org
    2. doi

    2024/7/4 -... graph convolutions, with GC being the graph ... Visualization and analysis of atomistic simulation data with OVITO─the Open Visualization Tool.


    Learning a reactive potential for silica-water through uncertainty ...

    1. https://www.nature.com
    2. nature communications
    3. articles

    2024/7/18 -E(3)-Equivariant Graph Neural Networks for Data ... Visualization and analysis of atomistic simulation data with OVITO-the Open Visualization Tool.


    Unveiling the three-dimensional network and deformation ...

    1. https://www.sciencedirect.com
    2. science
    3. article
    4. pii

    2024/2/22 -Unveiling the three-dimensional network and deformation mechanism of foamed polyurethane by coarse-grained and graph theory. Author links open overlay panel


    PDB2DAT: Automating LAMMPS Data File Generation from ... - Code Ocean

    1. https://codeocean.com
    2. capsule
    3. tree

    2024/5/31 -data file contains the molecular configuration of the generated system, which can be visualized using molecular visualization software like OVITO, VMD, or PyMOL ...