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knc6/README.md

Hi there πŸ‘‹

Kamal Choudhary is

My research interests are focused on atomistic materials design using classical, quantum, and machine learning methods. In particular, I have developed JARVIS database and tools (https://jarvis.nist.gov/) that hosts publicly available datasets for millions of material properties.

Contributions to projects:

Name Description Details Conda Package PyPi Package
atomgptlab/chatgpt_material_explorer ChatGPT based Material Science Assistant for materials data and simulations. πŸ“š
atomgptlab/jarvis-tools JARVIS-Tools: An open-source software package for data-driven atomistic materials design πŸ“š πŸ“¦ πŸ“¦
atomgptlab/alignn ALIGNN: Atomistic Line Graph Neural Network and force-field πŸ“š πŸ“¦ πŸ“¦
atomgptlab/jarvis_leaderboard JARVIS-Leaderboard: Explore State-of-the-Art Materials Design Methods and Reproducible Benchmarks πŸ“š πŸ“¦ πŸ“¦
atomgptlab/atomgpt AtomGPT: Atomistic Generative Pretrained Transformer for Forward and Inverse Materials Design πŸ“š
atomgptlab/chemnlp ChemNLP: A Natural Language Processing based Library for Materials Chemistry Text Data πŸ“š πŸ“¦ πŸ“¦
atomgptlab/atomvision AtomVision: Deep learning framework for atomistic image data πŸ“š πŸ“¦
atomgptlab/atomqc AtomQC: Atomistic Calculations on Quantum Computers πŸ“š πŸ“¦
JARVIS-Materials-Design/jarvis-tools-notebooks A Google-Colab Notebook Collection for Materials Design πŸ“š
deepmaterials/dlmatreview Repository for links to software packages and databases used in deep-learning applications for materials science πŸ“š
deepmaterials/slmat ServerLess Materials Design Toolkit πŸ“š
atomgptlab/tb3py TB3Py: Two- and three-body tight-binding calculations for materials πŸ“š πŸ“¦ πŸ“¦
atomgptlab/intermat InterMat: Interface materials design toolkit πŸ“š πŸ“¦ πŸ“¦
atomgptlab/defectmat DefectMat: Defect materials design toolkit πŸ“š
atomgptlab/chipsff Evaluation of universal machine learning force-fields πŸ“š πŸ“¦
atomgptlab/benchqc A Benchmarking Toolkit for Quantum Computation πŸ“š
atomgptlab/catalysismat Examining Generalizability of AI Models for Catalysis πŸ“š
SciVedanta A collection of YouTube videos on Vedanta philosophy πŸ“š
eesociety Encouraging Excellence Society πŸ“š

Google Scholar Pages:

Project / Author Google Scholar Page
Kamalβ€―Choudhary scholar
JARVIS scholar
ALIGNN scholar
SuperconDB scholar
AtomGPT scholar
DMS200 scholar
DeepMaterialsβ€―LLC scholar

Here are some links that might interest you:

Β knc6

Popular repositories Loading

  1. JARVIS-FF JARVIS-FF Public

    This project contains the data for evaluation of interatomic potentials/force-fields (used in Moecular-dynamics and Monte-carlo simulations). LAMMPS calculation were done using MPinterface code (ht…

    Python 10 1

  2. material_explorer_examples material_explorer_examples Public archive

    ChatGPT Material Explorer 1.0 Example Prompts

    10

  3. jarvis-tools-notebooksold jarvis-tools-notebooksold Public

    Forked from JARVIS-Materials-Design/jarvis-tools-notebooks

    Jupyter Notebook 5 2

  4. knc6 knc6 Public

    2

  5. alignn alignn Public

    Forked from usnistgov/alignn

    Atomistic Line Graph Neural Network

    Python 1

  6. chemnlp-1 chemnlp-1 Public

    Forked from usnistgov/chemnlp

    ChemNLP: A Natural Language Processing based Library for Materials Chemistry Text Data

    Python 1