Pretrained model for molecular wavefunctions

Xtructure is datastructure for using in JAX

Гайд по покупке Б/У ноутов ThinkPad.

Benchmark data for density-functional theory method development.

A ssh server that knows who you are. $ ssh whoami.filippo.io

The best way to write secure and reliable applications. Write nothing; deploy nowhere.

A novel data compression framework

Python tool to manipulate Gaussian cube files

Kolmogorov-Arnold Networks built on JAX

Deep learning quantum Monte Carlo for electrons in real space

A utility for locating near duplicate photos irrespective of image resolution, compression settings or file format.

Sq - A Procedural/Functional Programing Model in Perl

DeepErwin is a python 3.8+ package that implements and optimizes JAX 2.x wave function models for numerical solutions to the multi-electron Schrödinger equation. DeepErwin supports weight-sharing w…

Modern terminal prompt inspired by inquirer.js

A repository for quantum chemistry basis sets

Raster to Vector Graphics Converter

GradDFT is a JAX-based library enabling the differentiable design and experimentation of exchange-correlation functionals using machine learning techniques.

DLA-Future

mbake is a Makefile formatter and linter. It only took 50 years!

Collection of 'compound scripts' for use with the ORCA quantum chemistry software

Orbital transfer and automatic multi-reference calculation for quantum chemistry

The best iOS App Architecture

ipie stands for Intelligent Python-based Imaginary-time Evolution with a focus on simplicity and speed.

A program for calculating the MP2D dispersion energy.

🐱 HTTP Cats API

Tauri binding for Python through Pyo3

Tauri plugin to run python code in the backend instead of rust

Reliable, easy, and fast video playing in Python

A new type of shell