Data relevant to the article "Machine learning determination of atomic dynamics at grain boundaries" https://arxiv.org/abs/1803.01416
☆11Oct 2, 2018Updated 7 years ago
Alternatives and similar repositories for GBAnalysisData
Users that are interested in GBAnalysisData are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Unsupervised learning of structure in systems of interacting particles.☆13Nov 13, 2023Updated 2 years ago
- Unsupervised landmark analysis for jump detection in molecular dynamics simulations.☆13Jan 12, 2021Updated 5 years ago
- QXMD: Non-adiabatic Quantum Molecular Dynamics Simulation Engine☆14Updated this week
- The Topological Cluster Classification algorithm☆15Apr 10, 2026Updated 2 weeks ago
- Soft Active Matter on Surfaces☆31Apr 16, 2025Updated last year
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- ☆11Feb 18, 2023Updated 3 years ago
- 3DStructGen: an interactive web-based 3D structure generation for non-periodic molecule and crystal.☆16Feb 10, 2020Updated 6 years ago
- e3nn tutorial for Materials Research Society Fall Meeting 2021☆14Nov 29, 2021Updated 4 years ago
- Python script for calculating vibrational density of states (DOS) from LAMMPS dump file☆19Aug 19, 2024Updated last year
- GPU Accelerated 3D Cell Simulator☆13Apr 15, 2026Updated 2 weeks ago
- Codes for translating structural defects to atomic properties☆15Sep 12, 2022Updated 3 years ago
- Analyse molecular dynamics simulations of solid-state ion transport by assigning mobile ions to discrete sites☆18Mar 27, 2026Updated last month
- Phase-field snow microstructure☆18Jan 10, 2023Updated 3 years ago
- Machine Learning Package Targeted for Amorphous Materials.☆20Feb 19, 2021Updated 5 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- The PyTorch implementation of ML framework for predicting band structure, taking an example of graphene nanoribbon systems.☆12Oct 6, 2022Updated 3 years ago
- ☆10May 2, 2025Updated 11 months ago
- A user package of LAMMPS software enabling simulations using linearized machine learning potentials☆10Feb 4, 2026Updated 2 months ago
- A classical Density Functional Theory code to calculate the properties of hard spheres or Lennard-Jones particles in planar geometry i.e.…☆17Feb 6, 2025Updated last year
- Topological analysis for Li local space, site, pathway in crystal structures☆14Jan 21, 2020Updated 6 years ago
- Machine Learning using marginalized graph kernel for chemical molecules.☆13Mar 15, 2024Updated 2 years ago
- RGM: Random Geological Model Generation package☆15Mar 13, 2026Updated last month
- A Python module intended to make cell segmentation, tracking and subsequent (mostly biophysical) statisticial analysis easy☆17Apr 23, 2025Updated last year
- A lightweight, object-oriented C++ library that contains a general framework for creating custom kinetic Monte Carlo simulation software …☆25Aug 29, 2020Updated 5 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- A nearest neighbor multiple-point statistics method for fast geological modeling☆11Jan 25, 2022Updated 4 years ago
- data and code to reduplicate paper: Topological representations of crystalline compounds for the machine-learning prediction of materials…☆22Jan 21, 2021Updated 5 years ago
- A simple software for constructing artificial binary microstructures in 2D or 3D☆17Mar 6, 2026Updated last month
- Implementation of the hierarchical smooth algorithm applicable to voxelated images of interface networks ( grain boundaries, soap foam, e…☆10Aug 4, 2021Updated 4 years ago
- Coarse grain to atomistic molecular coordinate and topology converter☆16Mar 13, 2025Updated last year
- On-the-fly calculation of Transport Properties☆28Jun 19, 2023Updated 2 years ago
- MaterialsCoord: infrastructure to benchmark crystal structure coordination algorithms☆20Mar 13, 2023Updated 3 years ago
- This repository contains detailed instructions, input files and data analysis Jupyter notebooks for performing free energy calculations …☆29Sep 28, 2020Updated 5 years ago
- Python library written in C++ for calculation of local atomic structural environment☆69Sep 4, 2024Updated last year
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- OptiMic: A tool to generate optimized polycrystalline microstructures for materials simulations. To cite this Original Software Publicati…☆11May 19, 2021Updated 4 years ago
- extract chemical scientific data chain☆10Jul 6, 2019Updated 6 years ago
- An interface for generating simple crystal structures for molecular dynamics simulations.☆17Aug 25, 2025Updated 8 months ago
- Machine Learning Interatomic Potential Predictions☆93Feb 15, 2024Updated 2 years ago
- automate the setup of atomistic clay models for classical molecular dynamics simulations with GROMACS☆18Oct 14, 2025Updated 6 months ago
- Bash and Python scripts to perform simple post-processing and analyses on VASP calculation outputs.☆25Dec 10, 2017Updated 8 years ago
- code for paper: Microstructure Representation and Reconstruction of Heterogeneous Materials via Deep Belief Network for Computational Mat…☆11Mar 14, 2017Updated 9 years ago