Stars
This module has been designed to offer a simple introduction and repository of simple files for submitting jobs using Young.
An advanced crypto trading bot written in Python
Scalene: a high-performance, high-precision CPU, GPU, and memory profiler for Python with AI-powered optimization proposals
LaTeX template for PhD thesis compliant with Imperial College London regulations
Python package to aid materials design and informatics
A library combining solid quantum Monte Carlo and neural network.
LaTeX template for Imperial College London PhD Thesis
MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.
Differentiable, Hardware Accelerated, Molecular Dynamics
GPS plugin for NetKet (www.netket.org), introducing new models, optimizers and Fermionic functionality.
Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals
TB3Py: Two- and three-body tight-binding calculations for materials
These are the slides associated with the GNN tutorial at the APS March Meeting
pyiron - an integrated development environment (IDE) for computational materials science.
quantum espresso interface for pyiron based on ase
A high-performance framework for solving phonon and electron Boltzmann equations
An open-source Python package for creating fast and accurate interatomic potentials.