Pymatgen-based python script to extract density of states (DOS) and projected DOS from vasprun.xml file
☆10Sep 10, 2025Updated last year
Alternatives and similar repositories for VASP-DOS_extractor
Users that are interested in VASP-DOS_extractor are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Toolkit using the Atomistic Simulation Environment (ASE)☆20May 7, 2020Updated 6 years ago
- Manager for first-principles calculations☆19Sep 7, 2026Updated 2 weeks ago
- Bash and Python scripts to perform simple post-processing and analyses on VASP calculation outputs.☆25Dec 10, 2017Updated 8 years ago
- a Python3 library for ML modeling materials properties☆10Sep 15, 2019Updated 7 years ago
- 96 benchmark datasets for external clustering validation with class-label matching score☆14Oct 4, 2023Updated 2 years ago
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- Source code of the web interface of https://mirrors.njupt.edu.cn/☆14Jun 28, 2024Updated 2 years ago
- Gaussian Approximation Potential Training☆18Jan 22, 2022Updated 4 years ago
- Beetle Antennae Search Algorithm for python 3.x☆16Feb 8, 2021Updated 5 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
- Python3 script to create Voronoi tessellations (mosaic pattern) on images☆10May 25, 2019Updated 7 years ago
- This module uses Crystal Structure Prototype Database (CSPD) to generate a list of crystal structures for the system defined by user.☆19Feb 7, 2019Updated 7 years ago
- A highly flexible and customizable library for visualizing electronic structure data from VASP calculations.☆45Sep 28, 2024Updated last year
- Embedding module for VASP and tools for its use.☆11Jul 1, 2026Updated 2 months ago
- This software package simulates the reduction of graphene oxide and calculates the optical response of the generated sp2 domains☆11Dec 22, 2016Updated 9 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.
- ☆16Jun 13, 2023Updated 3 years ago
- A tool to draw Graphene Oxide 3D chemical structures. (Python 2.7)☆11Nov 27, 2017Updated 8 years ago
- ☆20Oct 18, 2022Updated 3 years ago
- extract third order force constants from TDEP output☆10Jun 22, 2020Updated 6 years 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 last year
- A toolkit for querying data in OQMD.☆23Jan 2, 2022Updated 4 years ago
- Manifest needed to help build LineageOS for the LG v30☆12Mar 11, 2023Updated 3 years ago
- 3D molecular structure generation for MD simulation☆10May 7, 2026Updated 4 months ago
- Utilities for ab initio modeling suite CRYSTAL, developed in Turin University☆11Aug 28, 2025Updated last year
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- Generate isosurface from density data☆15Sep 7, 2026Updated 2 weeks ago
- Python tool to manipulate Gaussian cube files☆48Jul 6, 2023Updated 3 years ago
- Vizualisation of Atomic Contributions to Phonon Modes☆13Nov 6, 2024Updated last year
- The High Throughput Experimentation Analyzer (HiTEA) modules as described in "Probing the Chemical 'Reactome' with High Throughput Experi…☆12Feb 12, 2024Updated 2 years ago
- Quality Metrics for evaluating the inter-cluster reliability of Multidimensional Projections☆27Apr 30, 2023Updated 3 years ago
- libAtoms/QUIP molecular dynamics framework: https://libatoms.github.io☆403Aug 22, 2026Updated last month
- A general parser for VASP☆16Updated this week
- Soprano - a Python library to crack crystals!☆12Updated this week
- VASP subtool to draw Fermi-Surface; creates input file for Xcrysden☆37Sep 10, 2025Updated last year
- 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.
- Computational experiments using SMACT for materials design☆11Jul 3, 2020Updated 6 years ago
- Converts (most) CIF files to VASP's POSCAR format☆23May 27, 2011Updated 15 years ago
- Intelligent Scientific Agent for Materials Design☆24Sep 1, 2026Updated 3 weeks ago
- QXMD: Non-adiabatic Quantum Molecular Dynamics Simulation Engine☆15May 2, 2026Updated 4 months ago
- ☆15Nov 13, 2022Updated 3 years ago
- programs for expeyes and expeyes-junior☆18May 22, 2026Updated 4 months ago
- Visualizations☆14Jan 10, 2022Updated 4 years ago