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1. Band-pDOS-QE Band-pDOS-QE Public

   Scripts and inputs for calculating the band structure and pDOS in Quantum Espresso, and plotting the results together.

   Gnuplot 1

2. 3D-UNet-Denoising 3D-UNet-Denoising Public

   PyTorch implementation of 3D UNet model for removal of noise from the Electron Density

   Jupyter Notebook

3. band-pdos-workflow-QE band-pdos-workflow-QE Public

   This project provides a Python-based automated workflow for calculating the band structure and projected density of states (PDOS) of materials using Quantum ESPRESSO and ASE. Simply provide a CIF f…

   Python

4. MD-playground MD-playground Public

   A Minimal Molecular Dynamics Engine in Python.

   Python

5. simple-bpe-tokenizer simple-bpe-tokenizer Public

   A modular Byte Pair Encoding (BPE) tokenizer implemented in Python

   Python

6. toyGPT toyGPT Public

   A simple, minimal implementation of a GPT model using PyTorch

   Python