MAISE Module for Ab Initio Structure Evolution (MAISE)
☆36Sep 24, 2025Updated 6 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 5 years ago
- Gaussian Approximation Potential Training☆17Jan 22, 2022Updated 4 years ago
- bands4vasp -- post processing package for the analysis of unfolded eigenstates in VASP, and much more: band structures, 2D and 3D Fermi s…☆14Jul 30, 2025Updated 7 months ago
- Python library written in C++ for calculation of local atomic structural environment☆69Sep 4, 2024Updated last year
- Calculates the pair distribution function (PDF) of a POSCAR file.☆12Mar 7, 2016Updated 10 years ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- The program allows you to create regular structure supercell from cif file with partial occupancy and/or substitutions.☆108Aug 4, 2024Updated last year
- quick analysis of vasp calculation☆38Jun 7, 2024Updated last year
- Python Materials Discovery Framework☆75Feb 2, 2024Updated 2 years ago
- Suite of programs to perform non-linear dimensionality reduction -- sketch-map in particular☆48Sep 30, 2024Updated last year
- An algorithm to match crystal structures atom-to-atom☆53Feb 27, 2023Updated 3 years ago
- ☆21Jun 2, 2024Updated last year
- Software for generating machine-learning interatomic potentials for LAMMPS☆182Oct 17, 2025Updated 5 months ago
- Gaussian and Lorentzian smearing of simulated spectra☆44Oct 8, 2024Updated last year
- ☆13Apr 12, 2023Updated 2 years ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- A VASP calculation monitor. Written in Rust☆30Nov 13, 2025Updated 4 months ago
- Genetic Algorithm for Structure and Phase Prediction☆20Aug 25, 2016Updated 9 years ago
- An open-source C++ software for efficient nanoscale quantum transport simulations☆10Sep 21, 2019Updated 6 years ago
- Deep learning for crystal-structure recognition and analysis of atomic structures☆42Feb 19, 2024Updated 2 years ago
- phq: a Fortran code to compute phonon quasiparticle properties and dispersions☆14Aug 16, 2019Updated 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
- Random symmetric initialization of crystals☆25Jan 6, 2018Updated 8 years ago
- MPmorph is a collection of tools to run and analyze ab-initio molecular dynamics (AIMD) calculations run with VASP, and is currently unde…☆73Feb 28, 2024Updated 2 years ago
- A python utilities to handle with atomic structures and interfacing with common formats (xyz and quantum-espresso).☆24Updated this week
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- Examples of using the Atomic Simulation Environment☆39Feb 15, 2016Updated 10 years ago
- A module for ASE for elastic constants calculation.☆47Jan 5, 2026Updated 2 months ago
- SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)☆48Jan 27, 2022Updated 4 years ago
- A collection of tips, scripts, tools and files to improve your workflow, or simply help you start with ab initio Molecular Dynamics (AIMD…☆27May 25, 2023Updated 2 years ago
- ☆73May 4, 2023Updated 2 years ago
- Atomic interaction potentials based on artificial neural networks☆127Dec 18, 2025Updated 3 months ago
- An optimization framework using Latin Hypercube Design and deep learning to explore high-dimensional parameter spaces.☆29Oct 18, 2023Updated 2 years ago
- potfit force-matching code☆42Feb 21, 2024Updated 2 years ago
- A software to calculate thermal conductivity quickly and accurately☆38Feb 20, 2020Updated 6 years ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- Collective atomic modulation analysis with irreducible space-group representation☆18Mar 17, 2026Updated last week
- ASAP is a package that can quickly analyze and visualize datasets of crystal or molecular structures.☆153Jun 27, 2024Updated last year
- KIM-based Learning-Integrated Fitting Framework for interatomic potentials.☆40Mar 14, 2026Updated last week
- UF3: a python library for generating ultra-fast interatomic potentials☆70Feb 26, 2026Updated last month
- Visualizations☆14Jan 10, 2022Updated 4 years ago
- A crystallographic visualizer for Python, compatible with files from common softwares like Quantum ESPRESSO, VASP, CP2K, etc.☆22Oct 15, 2024Updated last year
- Interfacial Phonon code☆28Jul 31, 2022Updated 3 years ago