drcassar / glasspy
Python module for scientists working with glass materials
☆30Updated 3 months ago
Alternatives and similar repositories for glasspy:
Users that are interested in glasspy are comparing it to the libraries listed below
- The database contains a vast set of data on the properties of glass materials.☆13Updated last year
- The database contains a vast set of data on the properties of glass materials.☆39Updated 5 years ago
- Machine Learning Package Targeted for Amorphous Materials.☆19Updated 3 years ago
- Repository for spectral neighbor analysis potential (SNAP) model development.☆37Updated 4 years ago
- Active learning workflow developed as a part of the upcoming article "Machine Learning Inter-Atomic Potentials Generation Driven by Activ…☆27Updated 3 years ago
- Machine Learning Interatomic Potential Predictions☆89Updated 11 months ago
- Statistical Mechanics on Lattices☆68Updated this week
- Data Science for Materials Science☆60Updated 11 months ago
- Python library written in C++ for calculation of local atomic structural environment☆59Updated 4 months ago
- pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LA…☆65Updated 6 months ago
- Specification of a common REST API for access to materials databases☆82Updated this week
- ☆20Updated 4 years ago
- Course materials for NANO 106 - Crystallography of Materials☆33Updated 2 years ago
- Automatic generation of crystal structure descriptions.☆107Updated last month
- Defect analysis modules for pymatgen☆45Updated this week
- Examples demonstrating how to reproduce the results in the paper.☆50Updated 2 months ago
- MatDeepLearn for DOS prediction☆22Updated 2 years ago
- The Element Movers Distance for chemical composition similarity☆33Updated 3 months ago
- ☆40Updated 5 months ago
- Pynta - an automated workflow for reaction path exploration on metallic surfaces☆35Updated 2 weeks ago
- A Python library to calculate elastic properties of materials.☆55Updated 2 years ago
- computer simulation data analysis package☆17Updated 2 years ago
- Generate random alloys and compute various properties☆48Updated 2 months ago
- MPmorph is a collection of tools to run and analyze ab-initio molecular dynamics (AIMD) calculations run with VASP, and is currently unde…☆67Updated 11 months ago
- Package to perform automatic bonding analysis with the program Lobster in the field of computational materials science and quantum chemis…☆84Updated 2 weeks ago
- scripts to load all data from ICSD, Materials Project, and OQMD☆53Updated 2 years ago
- A Python library and command line interface for automated free energy calculations☆74Updated last month
- Machine Learning for High Entropy Alloy☆14Updated 4 years ago
- updated constant potential plugin for LAMMPS☆37Updated 2 years ago
- This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.☆51Updated 6 years ago