Build slab models for crystal surfaces.
☆18Jul 29, 2020Updated 5 years ago
Alternatives and similar repositories for SlabMaker
Users that are interested in SlabMaker 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 introduction to DFT.☆14May 17, 2024Updated last year
- The Orthogonalized Linear Combination of Atomic Orbitals package.☆27Mar 23, 2026Updated 3 weeks ago
- Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.☆20Feb 21, 2019Updated 7 years ago
- Effective mass calculation with DFT☆16Jan 20, 2026Updated 2 months ago
- Crsytal simulation tools☆10Updated this week
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Embedding module for VASP and tools for its use.☆10Feb 20, 2025Updated last year
- ☆30May 20, 2025Updated 10 months ago
- Some useful VMD scrpits☆10May 24, 2016Updated 9 years ago
- Modeling and Crystallographic Utilities☆53May 23, 2023Updated 2 years ago
- Computes the electronic band structure of bulk ZB semiconductor with k.p models WITH STRAIN☆17Apr 1, 2021Updated 5 years ago
- extract third order force constants from TDEP output☆10Jun 22, 2020Updated 5 years ago
- Computes the electronic band structure of Zinc Blende semiconductor☆16Jan 4, 2022Updated 4 years ago
- This code deals with MD trajectory from VASP. It calculates lattice parameters, RMSD, and coordination number and also generates .xyz out…☆11Oct 11, 2021Updated 4 years ago
- ☆42Feb 21, 2024Updated 2 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click and start building anything your business needs.
- Natural Bond Orbital algorithm to handle systems characterized by periodic symmetry☆21Dec 5, 2021Updated 4 years ago
- Explain a SMARTS using SmartsView (K. Schomburg and M. Rarey)☆17Oct 4, 2021Updated 4 years ago
- Generate isosurface from density data☆14Mar 7, 2026Updated last month
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆56Jan 26, 2026Updated 2 months ago
- QXMD: Non-adiabatic Quantum Molecular Dynamics Simulation Engine☆14Jun 5, 2024Updated last year
- A general parser for VASP☆15Updated this week
- ☆12Feb 28, 2020Updated 6 years ago
- Visualizations☆14Jan 10, 2022Updated 4 years ago
- Qball (also known as qb@ll) is a first-principles molecular dynamics code that is used to compute the electronic structure of atoms, mole…☆46Feb 16, 2024Updated 2 years ago
- DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- Mr. Network is a python reaction-network for molecular systems☆11Jun 22, 2022Updated 3 years ago
- Molar is a database management to make it easy to store experiment whether computational or not☆11Jul 15, 2022Updated 3 years ago
- Onsager coefficients for interstitial and vacancy-mediated diffusion☆14Jan 31, 2025Updated last year
- Pymatgen-based script to collect structural descriptors from many atomic structures.☆13Nov 29, 2025Updated 4 months ago
- cif2cell compatible with Python 3+☆12Sep 30, 2022Updated 3 years ago
- High-throughput DFT of MOFs using ASE/VASP☆31May 22, 2023Updated 2 years ago
- Fully validating pure-python CP2K input file tools including preprocessing capabilities☆59Updated this week
- Using quantum chemical computation to find important reactions without requiring human intuition.☆18May 9, 2018Updated 7 years ago
- Bash and Python scripts to perform simple post-processing and analyses on VASP calculation outputs.☆25Dec 10, 2017Updated 8 years ago
- DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- Computes the electronic band structure of bulk ZB semiconductor with various k.p models☆15Apr 1, 2021Updated 5 years ago
- Materials informatics framework for ab initio data repositories☆18Aug 16, 2022Updated 3 years ago
- Lab materials for MIT 3.320 and Harvard AP 275 courses on atomistic modeling☆15Apr 20, 2021Updated 4 years ago
- An interface between the Materials Project software suite and the Schrodinger Python API, designed to allow for high-throughput execution…☆13Apr 8, 2024Updated 2 years ago
- Quick tools for materials chemistry☆19May 29, 2024Updated last year
- Equivariant machine learning model for predicting self-consistent Hubbard parameters☆18Mar 30, 2025Updated last year
- Software to calculate magnetostriction coefficients and magnetoelastic constants☆20Aug 2, 2023Updated 2 years ago