A python package building CSL or approximate CSL interfaces of any two lattices and computing cell of non-identical displacement (CNID).
☆24Apr 14, 2026Updated 3 months ago
Alternatives and similar repositories for interface_master
Users that are interested in interface_master are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Generate isosurface from density data☆14May 21, 2026Updated 2 months ago
- Atom-by-atom design of metal oxide catalysts for the oxygen evolution reaction with Machine Learning☆12Oct 19, 2023Updated 2 years ago
- A unified package for post-processing optical properties of point defects from first principles calculation.☆11Updated this week
- Python package for enhancing VASP AIMD simulations and analysis☆13Jul 1, 2025Updated last year
- PLATO: Phonon LAttice TOols a place for all lattice dynamics and thermal transport related tools.☆16Oct 4, 2023Updated 2 years ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Intelligent Scientific Agent for Materials Design☆24Jun 29, 2026Updated 3 weeks ago
- A simple walkthrough and template for NEB runs on VASP.☆19Jan 28, 2022Updated 4 years ago
- Reproduction of CGCNN for predicting material properties☆27Jul 7, 2026Updated 2 weeks ago
- This API_Phonons is a set of python scripts and functions for interfacing different packages for phonon modeling.☆39May 19, 2026Updated 2 months ago
- Tutorial files for alamode☆15Aug 6, 2024Updated last year
- Generator of polynomial machine learning potentials☆22Jul 13, 2026Updated last week
- MACE_Osaka24 models☆29Apr 15, 2026Updated 3 months ago
- Machine-learning-driven VASP interface using MACE potentials☆50Jul 10, 2026Updated last week
- CrystalGRW: Generative Modeling of Crystal Structures with Targeted Properties via Geodesic Random Walks☆15May 22, 2026Updated last month
- 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.
- Post-data processing for ShengBTE☆17Nov 8, 2025Updated 8 months ago
- ☆15Feb 5, 2025Updated last year
- Building tight-binding model for generic twisted graphene☆13Aug 30, 2021Updated 4 years ago
- Generate atomic structures for common defects in materials☆19Apr 22, 2024Updated 2 years ago
- Restructure single parabolic band(RSPB) model used for thermoelectricity☆11Jul 25, 2025Updated 11 months ago
- Alchemical machine learning interatomic potentials☆36Nov 8, 2024Updated last year
- A tool for plotting phonon dispersion curves and phonon density of states.☆11Oct 1, 2020Updated 5 years ago
- Thermodynamic Phase Diagram Generator☆59Mar 5, 2022Updated 4 years ago
- Esercitazioni DFT con quantum espresso☆15Jun 4, 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.
- MACE-Field - Fast and accurate machine learning interatomic potentials under an external electric field for predicting dielectric propert…☆19May 6, 2026Updated 2 months ago
- ☆14Mar 17, 2019Updated 7 years ago
- ☆31Apr 17, 2022Updated 4 years ago
- An interactive viewer☆14Jun 17, 2020Updated 6 years ago
- ☆15Updated this week
- Some useful vasp scripts and tools☆22Dec 7, 2019Updated 6 years ago
- Simmate: a full-stack framework for chemistry research.☆37Updated this week
- This is the data file associated with the publication "User-defined Electrostatic Potentials in DFT Supercell Calculations: Implementatio…☆16Apr 16, 2026Updated 3 months ago
- ☆12Mar 16, 2021Updated 5 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- Export Eigenvectors from Phonopy format to VESTA☆54Dec 24, 2024Updated last year
- Bayesian Optimization with multiple tiers of objectives, which can flexibly depend on model inputs and outputs☆14Sep 10, 2025Updated 10 months ago
- Utility scripts and programs for VASP calculations☆29Updated this week
- Toolkit for visualizing phase stability and defects diagrams from DFT calculations of multicomponent materials.☆19Feb 20, 2024Updated 2 years ago
- A high-performance software package for training and evaluating machine-learned XC functionals using the CIDER framework☆20Updated this week
- [ICML'24] Adsorbate Placement via Conditional Denoising Diffusion☆25May 9, 2024Updated 2 years ago
- ☆21Jun 29, 2026Updated 3 weeks ago