M-Stack
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- tools-cell2mol Public Forked from lcmd-epfl/tools-cell2mol
A tools-barebone setting of cell2mol fro the materialscoud.
m-stack-org/tools-cell2mol’s past year of commit activity - ShiftML Public Forked from lab-cosmo/shiftml
A python package for the prediction of chemical shieldings of organic solids and beyond.
m-stack-org/ShiftML’s past year of commit activity - Q-stack Public Forked from lcmd-epfl/Q-stack
Stack of codes for dedicated pre- and post-processing tasks for Quantum Machine Learning (QML)
m-stack-org/Q-stack’s past year of commit activity - sphericart Public Forked from lab-cosmo/sphericart
Multi-language library for the calculation of spherical harmonics in Cartesian coordinates
m-stack-org/sphericart’s past year of commit activity - scikit-matter Public Forked from scikit-learn-contrib/scikit-matter
A collection of scikit-learn compatible utilities that implement methods born out of the materials science and chemistry communities
m-stack-org/scikit-matter’s past year of commit activity - rholearn Public Forked from lab-cosmo/rholearn
Learning and predicting electronic densities decomposed on a basis and global electronic densities of states at DFT accuracy
m-stack-org/rholearn’s past year of commit activity - chemiscope Public Forked from lab-cosmo/chemiscope
An interactive structure/property explorer for materials and molecules
m-stack-org/chemiscope’s past year of commit activity - featomic Public Forked from metatensor/featomic
Computing representations for atomistic machine learning
m-stack-org/featomic’s past year of commit activity - metatensor Public Forked from metatensor/metatensor
Storage format for equivariant atomistic machine learning
m-stack-org/metatensor’s past year of commit activity
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