This repository contains the code for the paper "Inferring Neural Activity Before Plasticity: A Foundation for Learning Beyond Backpropagation."

ASH is a Python-based computational chemistry and QM/MM environment, primarily for molecular calculations in the gas phase, explicit solution, crystal or protein environment.

😎 A curated list of awesome GitHub Profile which updates in real time

This repository is dedicated to the publication "Fast and Robust Modeling of Lanthanide- and Actinide-Containing Complexes, Biomolecules, and Molecular Crystals with the extended GFN-FF model".

This is a simple script to plot energy profile diagrams using Python and matplotlib.

Distributed PyTorch implementation of multi-headed graph convolutional neural networks

Single- and double-precision Codes for PhysNet

Tools for the creation of reaction energy diagrams

Cookiecutter for setting up python projects with uv that just work

LaTeX support for Adobe's Pro opentype fonts: Minion Pro, Myriad Pro, Cronos Pro and possibly more

An efficient and fully parallelized pure python DFT and electronic structure code with GPU acceleration