Julia implementation for various Frank-Wolfe and Conditional Gradient variants

Repository for Common Ground C25

Density-functional toolkit

General purpose code and examples for the mpEDMD algorithm.

MATLAB codes for physics-informed dynamic mode decomposition (piDMD)

Dynamic Mode Decomposition

PySCF with auto-differentiation

Julia bindings for the Enzyme automatic differentiator

A code to generate atomic structure with symmetry

Convert latex equations into SVG files.

Implicit Derivative Implementation in LAMMPS

general GTO integrals for quantum chemistry

Retraining LML potentials on QM/MM data.

mathLab mirror of Python Dynamic Mode Decomposition

Parse Fortran source code and create a call tree graph with Python.

TAMMBER fork of ParSplice - Accelerated, massively parallel construction of Markov/kMC Models from MD

Example on how to use sockets to transfer data from Fortran to Python and viceversa

Build once, run everywhere.

An ultra-simplified explanation to design patterns

Master the command line, in one page

Minimal examples of data structures and algorithms in Python

Working copy of TDEP software

Simple, parallel, object-oriented Fortran neural network

This is the official GPL repository of the yambo code

A high-performance framework for solving phonon and electron Boltzmann equations

Python scripts to manage and postprocess quantum espresso and yambo calculation.

Automatically generates FORtran Documentation from comments within the code.

client for Crossref search API