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SCM - Software for Chemistry and Materials

11 followers
Amsterdam
https://www.scm.com/
info@scm.com

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PLAMS PLAMS Public

Python Library for Automating Molecular Simulations

Python 63 24
ftl ftl Public

The Fortran Template Library

Fortran 112 13
qmflows qmflows Public

This library tackles the construction and efficient execution of computational chemistry workflows

Python 44 9

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All C C++ Fortran Python

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Showing 10 of 10 repositories

nano-qmflows Public
Package containing several workflows to compute molecular properties for nanomaterials

Python 9 Apache-2.0 10 8 5 Updated Apr 24, 2024
pyZacros Public
Python Library for Automating Zacros Simulations

Python 4 2 0 0 Updated Mar 28, 2024
amspipe Public
a library that implements the worker side of the AMS pipe protocol

C++ 0 MIT 0 0 0 Updated Mar 15, 2024
qmflows Public
This library tackles the construction and efficient execution of computational chemistry workflows

Python 44 9 1 3 Updated Feb 1, 2024
PLAMS Public
Python Library for Automating Molecular Simulations

Python 63 24 4 2 Updated Jan 5, 2024
ftl Public
The Fortran Template Library

Fortran 112 GPL-3.0 13 7 1 Updated Dec 4, 2023
dftd3-lib Public Forked from dftbplus/dftd3-lib
Library version of S. Grimmes DFTD3 code.

Fortran 0 4 0 0 Updated Feb 11, 2019
SPGL1_python_port Public Forked from drrelyea/spgl1
Port of SPGL1 to python

Python 1 LGPL-2.1 30 0 0 Updated Feb 8, 2018
qmflows_examples Public
Computational chemistry workflow examples using the QMFlows package

Python 1 Apache-2.0 0 0 0 Updated Jan 30, 2018
primme Public Forked from primme/primme
PReconditioned Iterative MultiMethod Eigensolver

C 1 LGPL-2.1 40 0 0 Updated May 24, 2016

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