SCM - Software for Chemistry and Materials

PLAMS Public

Python Library for Automating Molecular Simulations

Python 94 30 2 2 Updated Aug 26, 2026

pyzeo Public Forked from FAIRmat-NFDI/pyzeo

Python interface for the zeo++ package

C++ 0Apache-2.0 9 0 0 Updated Aug 11, 2026

amspipe Public

a library that implements the worker side of the AMS pipe protocol

C++ 0MIT 0 0 0 Updated Jul 29, 2026

pyZacros Public

Python Library for Automating Zacros Simulations

Python 8 4 0 0 Updated Jul 7, 2026

ams-ideas-in-action Public

Executable notebooks for running AMS calculations and exploring literature-inspired computational chemistry and materials science workflows

Jupyter Notebook 1MIT 0 0 0 Updated Jun 4, 2026

infretis Public Forked from infretis/infretis

A python library for replica exchange transition interface sampling with infinite swaps

Python 0MIT 18 0 0 Updated Apr 8, 2026

json-fortran Public Forked from jacobwilliams/json-fortran

A Modern Fortran JSON API

Fortran 0 100 0 0 Updated Apr 7, 2026

ftl Public

The Fortran Template Library

Fortran 118GPL-3.0 13 5 1 Updated Feb 11, 2026

lammps Public Forked from lammps/lammps

Version of LAMMPS modified by SCM

C++ 0GPL-2.0 2,041 0 0 Updated Mar 27, 2025

nano-qmflows Public

Package containing several workflows to compute molecular properties for nanomaterials

Python 12Apache-2.0 11 8 5 Updated Jun 28, 2024

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SCM - Software for Chemistry and Materials

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