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Working on thesis :[]
:shipit:
Working on thesis :[]
19 followers · 11 following

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Achievement: Starstruck

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  1. uMLIP-Interactive uMLIP-Interactive Public

    GUI for running simulations with universal MLIPs (MACE, CHGNet, SevenNet, Nequix, ORB, MatterSim, UPET, GRACE)

    Python 29 2

  2. xrdlicious xrdlicious Public

    Online calculator of partial radial distribution function (PRDF), global RDF, and XRD/ND patterns for crystal structures.

    Python 7 3

  3. VASP_scripts VASP_scripts Public

    Collection of useful bash and python scripts for preparing calculations with VASP

    Python 4

  4. atat-sqs-gui atat-sqs-gui Public

    Interactive interface for preparing and analyzing files for generation of special quasirandom structures (SQS) using ATAT mcsqs

    Python 14 3

  5. Creating-Surface-Slab-using-ASE Creating-Surface-Slab-using-ASE Public

    Python script that creates surface slab using ASE

    Python 4

  6. xrd-rust xrd-rust Public

    Calculate XRD patterns based on XRDCalculator in pymatgen, but using Rust for certain parts, making it on average ~4-6x faster.

    Python 5