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Achievements

Achievement: Public SponsorAchievement: Pull Sharkx3Achievement: StarstruckAchievement: Pair Extraordinairex2Achievement: YOLOAchievement: Quickdraw

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QuantumChemist/README.md

Linkedin: Christina Ertural GitHub Stars

Hi, I'm Chris,👋🏻 You can check out more here.

Languages, Skills, Frameworks and Tools

icon
Github 		Git
Git 		Python
Python 		C++
C++ 		Python
JS 		Materials Project
Materials Project 		MongoDB
MongoDB 		PyCharm
PyCharm 		VisualStudioCode
VisualStudio Code 		Rasberry Pi
Raspberry Pi 3

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Pinned Loading

  1. LobsterPyGUI LobsterPyGUI Public

    A graphical user interface for LobsterPy

    Makefile 21

  2. OpenGLaDOS OpenGLaDOS Public

    OpenGLaDOS chatbot using the llama3-70b-8192 and llama-3.3-70b-versatile LLMs.

    Python 10

  3. autoatml/autoplex autoatml/autoplex Public

    Code for automated fitting of machine learned interatomic potentials.

    Python 73 11

  4. JaGeo/LobsterPy JaGeo/LobsterPy Public

    Package to perform automatic bonding analysis with the program Lobster in the field of computational materials science and quantum chemistry

    Python 86 30

  5. materialsproject/atomate2 materialsproject/atomate2 Public

    atomate2 is a library of computational materials science workflows

    Python 204 110

  6. materialdigital/ADIS2023 materialdigital/ADIS2023 Public

    Interactive comparison of the same quantum espresso workflow implemented in Aiida, jobflow, pyiron and simstack.

    Jupyter Notebook 10 6