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Add VASP Input Generator and QE Input Generator #68

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Expand Up @@ -61,6 +61,7 @@ Contributions are very welcome - please follow the [guidelines](CONTRIBUTING.md)
- [Pymatgen](https://pymatgen.org) - A robust, open-source **Python** library for materials analysis. [![Github Stars](https://img.shields.io/github/stars/materialsproject/pymatgen?style=social)](https://github.com/materialsproject/pymatgen)
- [Pymatviz](https://github.com/janosh/pymatviz) - A toolkit for visualizations in materials informatics. [![Github Stars](https://img.shields.io/github/stars/janosh/pymatviz?style=social)](https://github.com/janosh/pymatviz)
- [pymks](https://pymks.org) - Materials Knowledge System (**Python**). [![Github Stars](https://img.shields.io/github/stars/materialsinnovation/pymks?style=social)](https://github.com/materialsinnovation/pymks)
- [QE Input Generator](https://github.com/ShahiDDU/qe-input-generator) - Free web-based GUI for generating Quantum ESPRESSO `pw.x` input files — SCF, bands, relaxation, DFT+U, SOC — with pseudopotential upload, manual k-point editor, and ZIP/tar.gz download (**Python/Streamlit**). [![Github Stars](https://img.shields.io/github/stars/ShahiDDU/qe-input-generator?style=social)](https://github.com/ShahiDDU/qe-input-generator)
- [QMForge](https://sourceforge.net/projects/qmforge/) - **Python** framework and GUI for analyzing results of quantum chemistry codes.
- [QMflows](https://github.com/SCM-NV/qmflows) - **Python** library for input generation and task handling in computational chemistry. [![Github Stars](https://img.shields.io/github/stars/SCM-NV/qmflows?style=social)](https://github.com/SCM-NV/qmflows)
- [qmpy](https://pythonhosted.org/qmpy) - **Python** backend creating and running the Open Quantum Materials Database. [![Github Stars](https://img.shields.io/github/stars/wolverton-research-group/qmpy?style=social)](https://github.com/wolverton-research-group/qmpy)
Expand All @@ -70,6 +71,7 @@ Contributions are very welcome - please follow the [guidelines](CONTRIBUTING.md)
- [SuperCon2](https://github.com/lfoppiano/supercon2) - A user interface for curating Superconductors materials and properties extracted by [grobid-superconductors](https://github.com/lfoppiano/grobid-superconductors)
- [SLAMD](https://github.com/BAMresearch/WEBSLAMD) - An open source web app for data driven acceleration of cement and concrete development through digital lab twin and AI optimization (**Python/javascript**). [![Github Stars](https://img.shields.io/github/stars/BAMresearch/WEBSLAMD?style=social)](https://github.com/BAMresearch/WEBSLAMD)
- [tilde](https://github.com/tilde-lab/tilde) - **Python** framework for ab initio data repositories. [![Github Stars](https://img.shields.io/github/stars/tilde-lab/tilde?style=social)](https://github.com/tilde-lab/tilde)
- [VASP Input Generator](https://github.com/ShahiDDU/vasp-input-generator) - Free web-based GUI for generating VASP input files (INCAR, POSCAR, KPOINTS, POTCAR) — SCF, relaxation, HSE06, DFT+U, SOC, band structure, MD — deployable on Streamlit Community Cloud (**Python/Streamlit**). [![Github Stars](https://img.shields.io/github/stars/ShahiDDU/vasp-input-generator?style=social)](https://github.com/ShahiDDU/vasp-input-generator)
- [XenonPy](https://github.com/yoshida-lab/XenonPy) - A Python library that implements a comprehensive set of machine learning tools for materials informatics. [![Github Stars](https://img.shields.io/github/stars/yoshida-lab/XenonPy?style=social)](https://github.com/yoshida-lab/XenonPy)
- [xtal2png](https://github.com/sparks-baird/xtal2png) - **Python** package for invertibly representing crystal structures as PNG images for screening state-of-the-art image-processing generative models. [![Github Stars](https://img.shields.io/github/stars/sparks-baird/xtal2png?style=social)](https://github.com/sparks-baird/xtal2png)

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