atomistic-models

There are 11 repositories under atomistic-models topic.

  • 3dem/relion

    Image-processing software for cryo-electron microscopy

    Language:C++504451.2k222

  • lanl/hippynn

    python library for atomistic machine learning

    Language:Python8973234

  • wojdyr/debyer

    Debye's scattering equation & other analysis of atomistic models.

    Language:C++558516

  • wojdyr/gosam

    generator of simple atomistic models

    Language:Python288210

  • Exabyte-io/materials-designer

    A standalone React.js/Redux based web application for the design and visualization of atomistic materials structures. Used at Mat3ra.com and can be deployed in standalone mode.

    Language:TypeScript139310

  • lan496/atomman-gb

    Grain-boundary generator with Atomman

    Language:Python12101

  • VectorInstitute/atomgen

    Library for handling atomistic graph datasets focusing on transformer-based implementations, with utilities for training various models, experimenting with different pre-training tasks, and a suite of pre-trained models with huggingface integrations

    Language:Python8201

  • BiocharModeling/BiocharAtomisticModels

    Language:HTML4100

  • aplowman/atomistic-simulation

    A collection of Python code for setting up and harvesting results from CASTEP and LAMMPS simulations.

    Language:Python3203

  • htahmasbi/FLAME

    Fully loaded atomistic modeling environment

    Language:Fortran1000

  • stefanbringuier/QuickFitSNAP

    An attempt to fit ab-initio materials database (e.g. Materials Project) results to FitSNAP potential.

    Language:Python10