elvissoares

pytorch

Tensors and Dynamic neural networks in Python with strong GPU acceleration

pykan

Kolmogorov Arnold Networks

nougat

Implementation of Nougat Neural Optical Understanding for Academic Documents

score_sde_pytorch

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

jax-md

Differentiable, Hardware Accelerated, Molecular Dynamics

youtube_channel

Notebooks for the python tutorials of my youtube channel. See specific youtube video for link to specifc notebook.

qmsolve

⚛️ A module for solving and visualizing the Schrödinger equation.

neuromancer

Pytorch-based framework for solving parametric constrained optimization problems, physics-informed system identification, and parametric model predictive control.

aquarel

Styling matplotlib made easy

DataScienceInteractivePython

Python interactive dashboards for learning data science

SymbolicRegression.jl

Distributed High-Performance Symbolic Regression in Julia

fdtd

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

pypalettes

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

quacc

quacc is a flexible platform for computational materials science and quantum chemistry that is built for the big data era.

Python_Simulations

Various Python Simulations

NUTS

python version of the No-U-Turn Sampler (NUTS) from Hoffman & Gelman, 2011

ipyblender-experimental

Blender in Jupyter.

mdbook-src

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.

cfd-comparison-python

Comparison of various numerical methods for computational fluid dynamics

DFT_PIB_Code

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

sph-python

Smoothed-Particle Hydrodynamics simulation of Toy Star

DeepSymRegTorch

PyTorch implementation of the EQL network, a neural network for symbolic regression

Phys_105B_S23

GOMC-inputs

Input script for Monte Carlo (GCMC) simulations

mdcourse.github.io

Learn molecular simulation with Python

DFT-UFF

Um curso de Teoria do Funcional da Densidade (DFT)

sandpilemodel

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

LJS-cDFT

A cDFT-PC-SAFT package in Python using PyTorch

hankel-transform

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

mdft-dev_general