A program that converts VASP POSCAR files to crystallographic information file format (CIF)
☆23Aug 23, 2013Updated 12 years ago
Alternatives and similar repositories for vasp2cif
Users that are interested in vasp2cif are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Converts (most) CIF files to VASP's POSCAR format☆22May 27, 2011Updated 14 years ago
- Run and manage EMTO-DFT calculations easily with this Python package☆13Jan 10, 2021Updated 5 years ago
- ☆15Sep 20, 2024Updated last year
- Ferroelectric/Ferroelastic domain wall builder☆23Oct 17, 2024Updated last year
- Optimized Generative Adversarial Network with Graph Convolutional Networks for Novel Molecule Design☆12Jan 2, 2024Updated 2 years ago
- Deploy open-source AI quickly and easily - Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- LAMMPS plugin for AiiDA☆28Apr 6, 2026Updated last week
- Jupyter Book source files for 2022 MSD summer research internship.☆13Jul 10, 2023Updated 2 years ago
- Scripts for building binary release bundle for Linux and Mac.☆11Feb 12, 2024Updated 2 years ago
- Export Eigenvectors from Phonopy format to VESTA☆52Dec 24, 2024Updated last year
- Source code for generating materials with 20 space groups using PGCGM☆34Dec 15, 2022Updated 3 years ago
- quick analysis of vasp calculation☆38Jun 7, 2024Updated last year
- Simple Vector math library☆11Mar 18, 2017Updated 9 years ago
- Accelerated molecular crystal structure determination from powder diffraction data☆13Jun 20, 2025Updated 9 months ago
- A code to simulate linearized phonon transport☆15May 7, 2017Updated 8 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.
- Tight-binding parameter fitting package (TBFIT) for Slater-Koster method☆33Sep 11, 2022Updated 3 years ago
- Implementation of STN (Spatial Transformer Network) and ICSTN (Inverse Compositional Spatial Transformer Networks) in Tensorlayer to pred…☆15Dec 6, 2021Updated 4 years ago
- Boğaziçi University Department of Economics - Repo For Term Pojects☆11Aug 9, 2019Updated 6 years ago
- Python bindings to ObjCryst++ Object-Oriented Crystallographic Library☆17Apr 6, 2026Updated last week
- Programs for constructing Brillouin zones in three- and two-dimensional space.☆32May 1, 2018Updated 7 years ago
- AlphaCrytal: Contact map based deep learning algorithm for crystal structure prediction☆11Aug 18, 2023Updated 2 years ago
- This is the repository of code and data for paper "Machine learning-enabled chemical space exploration of all-inorganic perovskites for p…☆11Sep 23, 2024Updated last year
- Elegant C++ library for HDF5 files☆14Oct 6, 2016Updated 9 years ago
- Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.☆20Feb 21, 2019Updated 7 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.
- Universal atomic embedding based on crystalTransfomer☆25Jan 11, 2025Updated last year
- ☆10Apr 5, 2024Updated 2 years ago
- CrysText: A Generative AI Approach for Text-Conditioned Crystal Structure Generation using LLM☆17Nov 3, 2025Updated 5 months ago
- Some scripts and docs that may help in installing Oasys☆11Jan 9, 2024Updated 2 years ago
- Identification of the Dominant Recombination Process for Perovskite Solar Cells Based on Machine Learning☆16Oct 27, 2020Updated 5 years ago
- ☆12Jan 16, 2024Updated 2 years ago
- ☆12Feb 14, 2024Updated 2 years ago
- DiffPy-CMI tutorial files for the ADD2019 workshop, ILL, Grenoble☆12Mar 25, 2019Updated 7 years ago
- A simple python/numpy script for calculating successive Brillouin zones of lattices.☆10Nov 20, 2016Updated 9 years ago
- 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.
- Documentation for the Juno IDE☆13Nov 6, 2021Updated 4 years ago
- A tool for creating and manipulating tight-binding models.☆41Mar 6, 2025Updated last year
- A Python package for manipulating atomistic data of software in computational science☆245Apr 6, 2026Updated last week
- A conda-smithy repository for lammps.☆10Mar 16, 2026Updated last month
- preparation guide for aws big data / data analytics – specialty exam☆18Nov 23, 2020Updated 5 years ago
- 虎跃加速器——轻松连接全世界☆33Jan 19, 2026Updated 2 months ago
- Welcome to AudioCIL, the toolbox for audio class-incremental learning with the most implemented methods.☆35Dec 19, 2024Updated last year