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Projects in Awesome Lists by lab-cosmo

A curated list of projects in awesome lists by lab-cosmo .

https://github.com/lab-cosmo/chemiscope

An interactive structure/property explorer for materials and molecules

hacktoberfest materials-science molecule visualization web

Last synced: 02 Aug 2024

https://github.com/lab-cosmo/librascal

A scalable and versatile library to generate representations for atomic-scale learning

Last synced: 02 Aug 2024

https://github.com/lab-cosmo/sphericart

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

geometric-deep-learning python pytorch spherical-harmonics

Last synced: 02 Aug 2024

https://github.com/lab-cosmo/metatensor

Self-describing sparse tensor data format for atomistic machine learning and beyond

Last synced: 02 Aug 2024

https://github.com/lab-cosmo/nice

Last synced: 02 Aug 2024

https://github.com/lab-cosmo/toolbox

Assorted libraries and utilities for atomistic simulation analysis

Last synced: 02 Aug 2024

https://github.com/lab-cosmo/software-cookbook

The COSMO cookbook contains recipes for atomic-scale modelling for materials and molecules

Last synced: 02 Aug 2024

https://github.com/lab-cosmo/equisolve

A ML toolkit package utilizing the metatensor data format to build models for the prediction of equivariant properties and gradients.

Last synced: 02 Aug 2024