drcassar / glasspy
Python module for scientists working with glass materials
☆28Updated last month
Related projects ⓘ
Alternatives and complementary repositories for glasspy
- The database contains a vast set of data on the properties of glass materials.☆38Updated 5 years ago
- The database contains a vast set of data on the properties of glass materials.☆11Updated last year
- Machine Learning Package Targeted for Amorphous Materials.☆19Updated 3 years ago
- Course materials for NANO 106 - Crystallography of Materials☆33Updated 2 years ago
- computer simulation data analysis package☆17Updated 2 years ago
- Provides some useful information and the LAMMPS input files to model a polymer-metal interface.☆33Updated 3 years ago
- pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LA…☆64Updated 3 months ago
- A code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermoce…☆41Updated 9 months ago
- This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.☆47Updated 6 years ago
- A Python library and command line interface for automated free energy calculations☆71Updated 3 weeks ago
- Expanded dataset of mechanical properties and observed phases of multi-principal element alloys☆31Updated 2 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…☆25Updated 3 years ago
- Molecular Simulation with Machine Learning - On-line workshop, July 13-14, 2020☆23Updated 4 years ago
- A physics computational framework for python and ipython☆38Updated last year
- Calculation of the spherical Bessel descriptors for machine learning potentials.☆9Updated 5 years ago
- A Python library to calculate elastic properties of materials.☆53Updated 2 years ago
- General purpose tools for high-throughput catalysis☆85Updated 4 months ago
- updated constant potential plugin for LAMMPS☆36Updated last year
- Uses the RASPA software package to simulate adsorption isotherms on nanoporous materials.☆10Updated last year
- data and code to reduplicate paper: Topological representations of crystalline compounds for the machine-learning prediction of materials…☆16Updated 3 years ago
- Specification of a common REST API for access to materials databases☆83Updated 2 weeks ago
- Generate random alloys and compute various properties☆47Updated 5 months ago
- Fermi surface generation, analysis and visualisation.☆88Updated 3 weeks ago
- Encode/decode a crystal structure to/from a grayscale PNG image for direct use with image-based machine learning models such as Palette.☆35Updated last year
- A module for ASE for elastic constants calculation.☆35Updated 3 months ago
- Compiled binaries and sources of LAMMPS, redistributed by AdvanceSoft Corp.☆41Updated 5 months ago
- A grain boundary generation code☆56Updated last year
- SPPARKS Kinetic and Metropolis Monte Carlo simulator☆59Updated this week
- Python API for the Surface Reactions database on Catalysis-Hub.org, used for querying and uploading data.☆26Updated 3 months ago