M-Stack

M-Stack's repositories

A proof-of-concept workflow for torch-based electron density learning

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A tool to predict the electronic density of molecules using a SA-GPR model

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Language:PythonGPL-3.0000

i-PI: a universal force engine

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Storage format for equivariant atomistic machine learning

Language:PythonBSD-3-Clause000

Mathematical operations with GPU acceleration

Language:C++BSD-3-Clause000

Stack of codes for dedicated pre- and post-processing tasks for Quantum Machine Learning (QML)

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Computing representations for atomistic machine learning

Language:RustBSD-3-Clause000

A collection of scikit-learn compatible utilities that implement methods born out of the materials science and chemistry communities

Language:PythonBSD-3-Clause000

Multi-language library for the calculation of spherical harmonics in Cartesian coordinates

Language:C++Apache-2.0000

A tools-barebone setting of cell2mol fro the materialscoud.

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An interactive structure/property explorer for materials and molecules

Language:TypeScriptBSD-3-Clause000