☆16Feb 27, 2020Updated 6 years ago
Alternatives and similar repositories for 2019_workshop
Users that are interested in 2019_workshop are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆12Feb 28, 2020Updated 6 years ago
- Pymatgen-based script to collect structural descriptors from many atomic structures.☆13Nov 29, 2025Updated 5 months ago
- A set of tools used for setup, analysis and post-processing of Density Functional Theory (DFT) calculations performed with the VASP packa…☆17Feb 5, 2018Updated 8 years ago
- A general parser for VASP☆15Updated this week
- Source codes of the 1st VASPKIT-PAPATERA CUP Awards☆27Sep 27, 2019Updated 6 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.
- vasp calculation flow☆22Sep 24, 2023Updated 2 years ago
- ☆19May 30, 2019Updated 6 years ago
- Some examples of using pymatgen code☆23Sep 20, 2024Updated last year
- A python class for parsing VASP XDATCAR from molecular dynamics☆26Mar 22, 2026Updated 2 months ago
- Script library mainly about chemical physics.☆26Jun 15, 2025Updated 11 months ago
- Calculate 3rd order elastic constant.☆13Mar 23, 2025Updated last year
- A general linear model for microkinetic catalytic systems.☆10Feb 8, 2023Updated 3 years ago
- DFT post processing tools☆26Jul 24, 2024Updated last year
- VaspCZ: an Efficient VASP Computation Assistant Program, with High Throughput Computing. 包含静态优化、过渡态计算、振动分析等☆128Feb 22, 2022Updated 4 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.
- Tutorial notebook for symmetry features in ASE☆26Nov 21, 2019Updated 6 years ago
- Installation steps for various programs like VASP, LAMMPS, Quantum Espresso, Siesta in parallel☆16Jul 26, 2020Updated 5 years ago
- Catalyst Micro-kinetic Analysis Package for automated creation of micro-kinetic models used in catalyst screening☆14Oct 27, 2015Updated 10 years ago
- Point symmetry analysis tool for theoretical chemistry objects☆22Apr 20, 2026Updated last month
- ⚗️ matador is an aggregator, manipulator and runner of first-principles calculations, written with a bent towards battery 🔋 electrode ma…☆35Feb 1, 2026Updated 3 months ago
- Code to convert DFPT modes in OUTCAR files to VESTA images☆27Aug 14, 2022Updated 3 years ago
- ☆12Sep 24, 2024Updated last year
- 机器学习预测表面物种性质 Predict property on surface using machine learning with SOAP encode☆17Dec 27, 2018Updated 7 years ago
- The Materials Project Workshop Curriculum☆120Mar 1, 2023Updated 3 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.
- cif2cell compatible with Python 3+☆12Sep 30, 2022Updated 3 years ago
- Git mirror of https://svn.fysik.dtu.dk/projects/gpaw/trunk☆15Feb 28, 2011Updated 15 years ago
- Converts the VASP WAVECAR to UNK files for wannier90.☆25Jun 9, 2020Updated 5 years ago
- Genetic Algorithm for Structure and Phase Prediction☆20Aug 25, 2016Updated 9 years ago
- An useful tool to submit your VASP job on HPC, manage your jobs and extract eneries...自动化VASP任务提交、计算结果提取，任务文件管理的工具☆76Sep 18, 2020Updated 5 years ago
- Useful scripts for VASP☆203Dec 28, 2021Updated 4 years ago
- Modeling and Crystallographic Utilities☆52May 23, 2023Updated 2 years ago
- A codebase for classical molecular dynamics (MD) simulation setup and results analysis.☆27Feb 5, 2024Updated 2 years ago
- band plot using python matplotlib☆184Oct 30, 2024Updated last year
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Software to calculate magnetostriction coefficients and magnetoelastic constants☆20Aug 2, 2023Updated 2 years ago
- A lite tool for monitoring convergence in VASP relaxation☆17Jul 4, 2024Updated last year
- Generating k-point grids with the best folding ratio or fewest irreducible k-points for a given density☆40Aug 12, 2024Updated last year
- A computational framework to automate point defect calculations☆38Jun 5, 2018Updated 7 years ago
- quick analysis of vasp calculation☆38Jun 7, 2024Updated last year
- ☆68Oct 8, 2024Updated last year
- Benchmark Suite for Machine Learning Interatomic Potentials for Materials☆113Feb 22, 2022Updated 4 years ago