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Starter template for a scientific book written in LaTeX with scripts for producing PDF, HTML, ePub, mobi, et al. formats.

TeX 44 3 Updated Apr 7, 2022

leetcode solution

Python 2 Updated Feb 2, 2016

Tool to build force field input files for molecular simulation

Python 149 58 Updated Oct 17, 2024

A. Alenaizan's restricted electrostatic potential (RESP) plugin to Psi4

Python 27 8 Updated Jan 30, 2020

Toolbox to simulate GNF and viscoelastic fluid flows in OpenFOAM®

C++ 164 67 Updated Feb 25, 2024

Cross Platform Serial programming on Linux and Windows Systems using Python and PySerial

Makefile 21 11 Updated Oct 15, 2022

This repository contains sample code for different Numato Lab products

C 134 339 Updated Aug 24, 2023

Python Package to communicate with a Keysight/Agilent E4980A LCR meter

Python 6 1 Updated Dec 8, 2020

Examples from Intel Fortran coarray tutorial

Fortran 10 2 Updated May 24, 2021

Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python

C++ 975 447 Updated Nov 11, 2024

Open Babel is a chemical toolbox designed to speak the many languages of chemical data.

C++ 1,080 414 Updated Aug 16, 2024

Compute a Tanimoto Score Between Two Ligands

C++ 1 Updated Apr 11, 2014

Lattice Boltzmann fluid simulation

Python 178 49 Updated Jul 21, 2023