Pinned Loading

1. uMLIP-Interactive uMLIP-Interactive Public

   GUI for running simulations with universal machine learning interatomic potentials (MACE, CHGNet, SevenNet, Nequix, ORB, MatterSim, UPET))

   Python 27 1

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