Topic: pymatgen Goto Github
Some thing interesting about pymatgen
Some thing interesting about pymatgen
pymatgen,Materials Simulation Environment
User: anoopkcn
pymatgen,Python module for drawing and rendering beautiful atoms and molecules using Blender.
Organization: beautiful-atoms
Home Page: https://beautiful-atoms.readthedocs.io/en/latest/
pymatgen,Automatic Generation of Quantum ESPRESSO Input Files
User: cohsh
pymatgen,A useful toolbox for using Aiida and constructing and viewing your initial structure for the simulation.
User: hezhengda
pymatgen,Collection of python functions to work with aiida, pymatgen and VASP. Designed to speed up input setup and output analysis.
User: ireaml
pymatgen,Machine Learning Research Project, generate various models and compare them, predict various materials. Focus on Hydrgeon Evolution Reaction Catalysts.
User: jmersh
pymatgen,Pymatgen (https://pymatgen.org/) IO plugin for the LAPW code FLEUR (www.flapw.de)
Organization: judftteam
pymatgen,Helpers for working with pymatgen structure graphs.
User: kjappelbaum
Home Page: https://structuregraph-helpers.readthedocs.io
pymatgen,This repository contains my graduate thesis work in DLSU and will be regularly updated
User: ktimsclustering
pymatgen,Collection of useful functions to manipulate/analyse the structures of hybrid organic-inorganic perovskites
Organization: lcbc-epfl
pymatgen,API do projeto LEVI que consome dados do "The Materials Project".
Organization: levi-ufma
pymatgen,Makes a horizontal bar plot showing the stability range of each phase in an open chemical system as a function chemical potential, temperature or voltage.
Organization: levi-ufma
pymatgen,calculates a temperature estimate corresponding to the chemical potential supplied by the user
Organization: levi-ufma
pymatgen,Paper with code for screening ion and electron insulators (IEIs).
User: peikai
Home Page: https://zenodo.org/record/4548804
pymatgen,Rotational structure of an anionic octahedron on 2x2x2 supercell
User: penicillin0
pymatgen,Python class to interface with QUESTAAL Quantum codes which is a suite of electronic structure programs.
User: santoshkumarradha
pymatgen,Scientific Python package for solving Slater Koster tight-binding topological hamiltonian
User: santoshkumarradha
Home Page: https://pysktb.readthedocs.io/
pymatgen,Automate everything with python
User: seanwoori
pymatgen,The VASP input files for my Master's Thesis investigating Magnetic Metal-Organic Frameworks
User: shellofnuts
pymatgen,doped is a Python software for the generation, pre-/post-processing and analysis of defect supercell calculations, implementing the defect simulation workflow in an efficient, reproducible, user-friendly yet powerful and fully-customisable manner.
Organization: smtg-bham
Home Page: https://doped.readthedocs.io
pymatgen,Defect structure-searching employing chemically-guided bond distortions
Organization: smtg-bham
Home Page: https://shakenbreak.readthedocs.io
pymatgen,A CLI to download the cif files from the Materials Project Database using a query.
User: st3107
Home Page: https://st3107.github.io/pullcif
pymatgen,Code used in my Master's of Chemistry dissertation analysing sodium amide
User: tara-biddle
pymatgen,Creating slabs from defined surface of any element and adding adsorbates by using Pymatgen. Output file is in the format for LAMMPS data file.
User: tugaygul
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