A curated list of repositories in which many NLP/CV/ML papers and related area resources are collected.

i-PI: a universal force engine

RMG is an Open Source code for electronic structure calculations and modeling of materials and molecules. It is based on density functional theory and uses a real space basis and pseudopotentials.

Advanced tool for Wannier interpolation and integration of k-space integrals

Matplotlib styles for scientific plotting

User-friendly open-source software to design and solve tight-binding models, addressing electronic properties, topology, interactions, non-collinear magnetism, and unconventional superconductivity,…

Package to perform tight binding calculation in tight binding models, with a friendly user interface

Electronic structure Python package for post analysis and large scale tight-binding DFT/NEGF calculations

Spatially Resolved Transport Code

Course on topology in condensed matter

Official repository of the Wannier90 code

matlab code developed to simulate cyclic voltammetry for thin-film ion insertion electrodes. Code assumes 1D geometry and no resistance.

Tutorials for the sisl-TBtrans-TranSiesta suite

Convert images of LaTex math equations into LaTex code.

A solver for the coupled and decoupled electron and phonon Boltzmann transport equations.

GNU Fortran (and GCC) compilers for macOS

The offical source code for [2023 NeurIPS] " Density of States Prediction of Crystalline Materials via Prompt-guided Multi-Modal Transformer"

ComDMFT is an ab initio code for simulating correlated quantum materials with crystalline symmetry. It combines the LQSGW code's DFT or qsGW calculations with an impurity problem describing strong …

A program/script to convert an animated XSF file into separate XSF files

KPROJ: A Band Unfolding Program

Massively parallel vibrational mode calculator.

ThermoElectric is a computational framework that computes electron transport coefficients.

A Quick Intro To Interactive Visualizations With Bokeh

Compressive sensing lattice dynamics

Proposal for a Nuclear Talent course on Nuclear Theory for Nuclear Structure Experiment