276 Open source projects that are alternatives of or similar to qrefine

Parallelized 3D FDTD Schrödinger Equation Solver

Sup bois, here's my work

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Python implementation of Krotov's method for quantum optimal control

An efficient toolkit for chemical resonance analysis based on quantum chemistry calculations. It implements the quantitative theory of resonance by expansion of the wave function from a DFT/HF calculation in terms of those of the Lewis structures.

Simulation framework for nonsmooth dynamical systems

reimplementation of the DFT-D3 program

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Quantum emulator of the IBM Quantum experience

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A Well Maintained Repository On Quantum Computing Resources [Code+Theory] Updated Regularly During My Time At IBM, Qubit x Qubit And The Coding School's Introduction To Quantum Computing Course '21

​The Economic Simulation Library provides an extensive collection of tools to develop, test, analyse and calibrate economic and financial agent-based models. The library is designed to take advantage of different computer architectures. In order to facilitate rapid iteration during model development the library can use parallel computation. Econ…

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Scientific Computing for Chemists text for teaching basic computing skills to chemistry students using Python, Jupyter notebooks, and the SciPy stack. This text makes use of a variety of packages including NumPy, SciPy, matplotlib, pandas, seaborn, NMRglue, SymPy, scikit-image, and scikit-learn.

Python wrapper for MFEM

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The main source repository for the Raysect project.

DISHTINY: A Platform for Studying Open-Ended Evolutionary Transitions in Individuality

This is a replication of "CFD Python: 12 steps to Navier-Stokes" in Julia

In silico chemical library engine for high-accuracy chemical property prediction

Python package for computing Kerr quasinormal mode frequencies, separation constants, and spherical-spheroidal mixing coefficients

🧪 A comprehensive chemistry library for Python.

A new boolean operations filter for VTK

Template repository for a Python 3-based (data) science project with GPU acceleration using the PyTorch ecosystem.

Owl's Differential Equation Solvers

software.intel.com/content/www/us/en/develop/articles/repo-evaluating-performance-productivity-oneapi.html

Data Science with Python

The Mines Java Toolkit

This library tackles the construction and efficient execution of computational chemistry workflows

An interval library for OCaml

monolish: MONOlithic LInear equation Solvers for Highly-parallel architecture

Payton! Kickstart any 3D OpenGL + GTK Ideas in a few seconds!

DFO-GN: Derivative-Free Optimization using Gauss-Newton

Nelson numerical interpreter

Numerical C++ examples.

Open-source, graph-based Python code generator and analysis toolbox for dynamical systems (pre-implemented and custom models). Most pre-implemented models belong to the family of neural population models.

Plugins for bone image analysis

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ls1-MarDyn is a massively parallel Molecular Dynamics (MD) code for large systems. Its main target is the simulation of thermodynamics and nanofluidics. ls1-MarDyn is designed with a focus on performance and easy extensibility.

⚒ (I'm dead) A super tiny chrome extension making your Github news feed more organized.

OpenFermion plugin to interface with the electronic structure package PySCF.

GSL interface for Ruby/Numo::NArray

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contains a package in Haskell to calculate the electronic structure properties of molecules using the Hartree-Fock method

OpenJij : Framework for the Ising model and QUBO.

An open-source solver tool for the Maxwell-Bloch equations.

Explorando aspectos fundamentais da matemática com Python e Jupyter