MAISE Module for Ab Initio Structure Evolution (MAISE)
☆39May 20, 2026Updated 5 months ago
Alternatives and similar repositories for maise
Users that are interested in maise are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- An interactive viewer☆14Jun 17, 2020Updated 6 years ago
- The FPTE package is a collection of tools for finite pressure temperature elastic constants calculation. Features include, but are not l…☆17Jan 19, 2025Updated last year
- Calculates the pair distribution function (PDF) of a POSCAR file.☆12Mar 7, 2016Updated 10 years ago
- bands4vasp -- post processing package for the analysis of unfolded eigenstates in VASP, and much more: band structures, 2D and 3D Fermi s…☆17Aug 31, 2026Updated 2 months ago
- ☆23Jun 2, 2024Updated 2 years ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- An algorithm to match crystal structures atom-to-atom☆53Feb 27, 2023Updated 3 years ago
- quick analysis of vasp calculation☆38Jun 7, 2024Updated 2 years ago
- Interfacial Phonon code☆30Jul 31, 2022Updated 4 years ago
- Python library written in C++ for calculation of local atomic structural environment☆70Apr 30, 2026Updated 6 months ago
- Gaussian Approximation Potential Training☆18Jan 22, 2022Updated 4 years ago
- Collective atomic modulation analysis with irreducible space-group representation☆18Oct 26, 2026Updated last week
- Utility scripts and programs for VASP calculations☆32Oct 27, 2026Updated last week
- ☆12Mar 16, 2021Updated 5 years ago
- ☆13Apr 12, 2023Updated 3 years ago
- Simple, predictable pricing with DigitalOcean hosting • AdAlways know what you'll pay with monthly caps and flat pricing. Enterprise-grade infrastructure trusted by 600k+ customers.
- Random symmetric initialization of crystals☆25Jan 6, 2018Updated 8 years ago
- Python Materials Discovery Framework☆76Feb 2, 2024Updated 2 years ago
- Gaussian and Lorentzian smearing of simulated spectra☆46Sep 13, 2026Updated last month
- MatInvent: Accelerating inverse materials design using generative diffusion models with reinforcement learning☆54Sep 15, 2026Updated last month
- Thermodynamic Phase Diagram Generator☆61Mar 5, 2022Updated 4 years ago
- Python library for advanced atomistic simulations☆23Sep 21, 2017Updated 9 years ago
- A VASP calculation monitor. Written in Rust☆32Mar 30, 2026Updated 7 months ago
- ☆11Dec 10, 2023Updated 2 years ago
- Electron Transport (ELECTRA), open source code from the "GENESIS" project☆13Dec 3, 2025Updated 11 months 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.
- ☆11Feb 10, 2022Updated 4 years ago
- Software for generating machine-learning interatomic potentials for LAMMPS☆189Oct 17, 2025Updated last year
- MAterials Simulation Toolkit for use with pymatgen☆17Feb 21, 2024Updated 2 years ago
- Set of codes to extract force constants from force-displacements data, calculate phonon dispersion (FOCEX) and thermal transport properti…☆20Updated this week
- MPmorph is a collection of tools to run and analyze ab-initio molecular dynamics (AIMD) calculations run with VASP, and is currently unde…☆79Feb 28, 2024Updated 2 years ago
- A crystallographic visualizer for Python, compatible with files from common softwares like Quantum ESPRESSO, VASP, CP2K, etc.☆23Oct 15, 2024Updated 2 years ago
- A software to calculate thermal conductivity quickly and accurately☆39Feb 20, 2020Updated 6 years ago
- The program allows you to create regular structure supercell from cif file with partial occupancy and/or substitutions.☆111May 23, 2026Updated 5 months ago
- This is the proof of concept, how a relatively unsophisticated statistical model trained on the large MPDS dataset predicts physical prop…☆11Oct 31, 2024Updated 2 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.
- Derivative structure enumeration library☆91Nov 16, 2024Updated last year
- Chemically Directed Atom Swap Hopping -- Crystal structure prediction by swapping atoms in unfavourable chemical environments☆21Apr 19, 2023Updated 3 years ago
- Suite of programs to perform non-linear dimensionality reduction -- sketch-map in particular☆48Sep 30, 2024Updated 2 years ago
- Phonon anharmonicity analysis from molecular dynamics☆143Updated this week
- New ASE compliant Python interface to VASP☆157Oct 20, 2026Updated 2 weeks ago
- PhononBench is a phonon-based benchmark for large-scale dynamical stability evaluation of AI-generated crystals, featuring 100k+ structur…☆40May 29, 2026Updated 5 months ago
- ☆18Jan 31, 2026Updated 9 months ago