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Julia package towards classical molecular modeling of nanoporous materials

Jupyter Notebook 53 13 Updated Jun 27, 2024

A differentiable astrophysics simulator in JAX

Python 8 Updated Jan 17, 2025

A 15TB Collection of Physics Simulation Datasets

Jupyter Notebook 770 56 Updated Mar 3, 2025

High-Performance Symbolic Regression in Python and Julia

Python 2,671 232 Updated Mar 5, 2025

Simple GPU rendering of scientific data with Pytorch, Jax, CuPy, and Warp backends.

Python 24 2 Updated Nov 20, 2023

Optimization of the rendering of the Volume of a Datacube

Jupyter Notebook 3 Updated Feb 26, 2024

In How Diffusion Models Work, you will gain a deep familiarity with the diffusion process and the models which carry it out. More than simply pulling in a pre-built model or using an API, this cour…

Jupyter Notebook 145 87 Updated Jan 7, 2024

Creating a diffusion model from scratch in PyTorch to learn exactly how they work.

Python 348 27 Updated Feb 5, 2025

The tiniest of Gaussian Process libraries

Python 303 25 Updated Mar 3, 2025

Dermatology ddx dataset, Jax implementations of Monte Carlo conformal prediction, plausibility regions and statistical annotation aggregation from our recent work on uncertain ground truth (TMLR'23…

Python 645 44 Updated Mar 28, 2024

An add-on to use Blender interactively inside of Jupyter Notebooks.

Python 27 3 Updated Sep 24, 2024

Blender Python Gallery with lot's of snippets

Jupyter Notebook 135 6 Updated Feb 25, 2025

A large (+2500) collection of color maps for Python

Python 295 9 Updated Feb 21, 2025

Styling matplotlib made easy

Python 774 20 Updated Mar 1, 2025

The mdbook source of a free online book on the theory and algorithms of physics-based simulations. You are welcome to make contributions by submitting pull requests or directly contacting the authors.

TeX 109 7 Updated Mar 1, 2025

Learn molecular simulation with Python

Python 12 3 Updated Dec 31, 2024

Input script for Monte Carlo (GCMC) simulations

Jupyter Notebook 17 Updated Sep 5, 2024

A cDFT-PC-SAFT package in Python using PyTorch

Python 7 1 Updated Nov 19, 2024

A basic python implementation of the Bak–Tang–Wiesenfeld model

Python 6 3 Updated Feb 23, 2018

Various Python Simulations

Jupyter Notebook 137 8 Updated Jun 4, 2024

⚛️ A module for solving and visualizing the Schrödinger equation.

Python 988 124 Updated Jan 4, 2025

Python interactive dashboards for learning data science

Jupyter Notebook 1,172 234 Updated Jan 24, 2025

Kolmogorov Arnold Networks

Jupyter Notebook 15,474 1,458 Updated Jan 19, 2025

A 3D electromagnetic FDTD simulator written in Python with optional GPU support

Python 550 127 Updated Sep 22, 2024

Um curso de Teoria do Funcional da Densidade (DFT)

Shell 9 2 Updated Jul 9, 2020

This program computes the numerical Fourier transform of a spherically symetric function in 3-dimensions, often called the Hankel transform.

Fortran 4 2 Updated Feb 7, 2017
Fortran 5 1 Updated Jan 25, 2024

Interactive Jupyter Notebooks for learning the fundamentals of Density-Functional Theory (DFT)

Jupyter Notebook 66 11 Updated Dec 2, 2024

PyTorch implementation for Score-Based Generative Modeling through Stochastic Differential Equations (ICLR 2021, Oral)

Jupyter Notebook 1,848 329 Updated Jul 14, 2024
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