Topic: "atomistic-models"
3dem/relion
Image-processing software for cryo-electron microscopy
Language: C++ - Size: 58.2 MB - Last synced at: about 2 months ago - Pushed at: 3 months ago - Stars: 465 - Forks: 205
lanl/hippynn
python library for atomistic machine learning
Language: Python - Size: 12.9 MB - Last synced at: 5 days ago - Pushed at: 5 days ago - Stars: 76 - Forks: 25
wojdyr/debyer
Debye's scattering equation & other analysis of atomistic models.
Language: C++ - Size: 307 KB - Last synced at: 8 days ago - Pushed at: over 1 year ago - Stars: 52 - Forks: 18
wojdyr/gosam
generator of simple atomistic models
Language: Python - Size: 279 KB - Last synced at: 8 days ago - Pushed at: over 6 years ago - Stars: 27 - Forks: 10
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: JavaScript - Size: 17.7 MB - Last synced at: 18 days ago - Pushed at: 18 days ago - Stars: 11 - Forks: 10
lan496/atomman-gb
Grain-boundary generator with Atomman
Language: Python - Size: 1.7 MB - Last synced at: over 1 year ago - Pushed at: over 2 years ago - Stars: 6 - Forks: 1
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: Python - Size: 1.71 MB - Last synced at: 6 days ago - Pushed at: 6 days ago - Stars: 5 - Forks: 0
aplowman/atomistic-simulation
A collection of Python code for setting up and harvesting results from CASTEP and LAMMPS simulations.
Language: Python - Size: 707 KB - Last synced at: about 2 years ago - Pushed at: over 2 years ago - Stars: 3 - Forks: 3
htahmasbi/FLAME
Fully loaded atomistic modeling environment
Language: Fortran - Size: 24.3 MB - Last synced at: about 1 year ago - Pushed at: almost 3 years ago - Stars: 1 - Forks: 0
stefanbringuier/QuickFitSNAP
An attempt to fit ab-initio materials database (e.g. Materials Project) results to FitSNAP potential.
Language: Python - Size: 21.5 MB - Last synced at: about 2 years ago - Pushed at: about 2 years ago - Stars: 0 - Forks: 0
