Alternatives and similar repositories for glasspy:

Users that are interested in glasspy are comparing it to the libraries listed below

• drcassar / SciGlass
  The database contains a vast set of data on the properties of glass materials.
  ☆13Updated last year
• epam / SciGlass
  The database contains a vast set of data on the properties of glass materials.
  ☆39Updated 5 years ago
• Qi-max / amlearn
  Machine Learning Package Targeted for Amorphous Materials.
  ☆19Updated 4 years ago
• elcorto / pwtools
  pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LA…
  ☆66Updated 7 months ago
• yuanchaohu / CSDAP
  computer simulation data analysis package
  ☆17Updated 2 years ago
• pyscal / pyscal
  Python library written in C++ for calculation of local atomic structural environment
  ☆60Updated 6 months ago
• harharkh / sb_desc
  Calculation of the spherical Bessel descriptors for machine learning potentials.
  ☆9Updated 5 years ago
• argonne-lcf / active-learning-md
  Active learning workflow developed as a part of the upcoming article "Machine Learning Inter-Atomic Potentials Generation Driven by Activ…
  ☆27Updated 3 years ago
• EfremBraun / calc-ir-spectra-from-lammps
  This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.
  ☆51Updated 6 years ago
• TRI-AMDD / CAMD
  Agent-based sequential learning software for materials discovery
  ☆61Updated last year
• velocirobbie / make-graphitics
  ☆42Updated 4 years ago
• materialsvirtuallab / snap
  Repository for spectral neighbor analysis potential (SNAP) model development.
  ☆37Updated 4 years ago
• libAtoms / pymatnest
  Nested Sampling code
  ☆30Updated 6 months ago
• plrodolfo / FluidFreeEnergyforLAMMPS
  Fluid-phase Free-energy Calculation package for LAMMPS
  ☆26Updated 3 years ago
• jorisparet / partycls
  Unsupervised learning of structure in systems of interacting particles.
  ☆13Updated last year
• CSIprinceton / workshop-july-2020
  Molecular Simulation with Machine Learning - On-line workshop, July 13-14, 2020
  ☆22Updated 4 years ago
• PabloPiaggi / Crystallization-of-Silicon
  Tutorial: Crystallization of silicon using enhanced sampling simulations
  ☆16Updated 9 months ago
• materialsvirtuallab / nano106
  Course materials for NANO 106 - Crystallography of Materials
  ☆34Updated 2 years ago
• CompRhys / aviary
  The Wren sits on its Roost in the Aviary.
  ☆53Updated 3 weeks ago
• NaveenKaliannan / StructureFactor
  A simple matlab code to compute the structure factor S(q) from pair correlation function g(r)
  ☆21Updated 3 years ago
• cmelab / GIXStapose
  An interactive structure viewer alongside its simulated diffraction pattern
  ☆18Updated 3 weeks ago
• sblisesivdin / gpaw-tools
  gpaw-tools is a powerful and user-friendly UI/GUI tool for conducting Density Functional Theory (DFT) and molecular dynamics (MD) calcula…
  ☆26Updated last week
• CJBartel / predict-gibbs-energies
  ☆21Updated 4 years ago
• sparks-baird / xtal2png
  Encode/decode a crystal structure to/from a grayscale PNG image for direct use with image-based machine learning models such as Palette.
  ☆37Updated last year
• romerogroup / MechElastic
  A Python library to calculate elastic properties of materials.
  ☆56Updated 2 years ago
• jochym / Elastic
  A module for ASE for elastic constants calculation.
  ☆41Updated last month
• pyiron / pyiron_meltingpoint
  A fully automated approach to determine the melting temperature of crystalline materials
  ☆18Updated 8 months ago
• ICAMS / calphy
  A Python library and command line interface for automated free energy calculations
  ☆77Updated 3 months ago
• srtee / lammps-USER-CONP2
  updated constant potential plugin for LAMMPS
  ☆39Updated 2 years ago
• BingqingCheng / Compute-absolute-Gibbs-free-energy
  This repository contains detailed instructions, input files and data analysis Jupyter notebooks for performing free energy calculations …
  ☆17Updated 4 years ago