20 citations · 20 across the 1 of their papers we have counts for
2 papers
physics.chem-ph2024★ 20 cited
SCINE -- Software for Chemical Interaction Networks
Thomas Weymuth, Jan P. Unsleber, Paul L. Tuertscher +11
The software for chemical interaction networks (SCINE) project aims at pushing the frontier of quantum chemical calculations on molecular structures to a new level. While calculati…
physics.chem-ph2020
Molassembler: Molecular graph construction, modification and conformer generation for inorganic and organic molecules
Jan-Grimo Sobez, Markus Reiher
We present the graph-based molecule software Molassembler for building organic and inorganic molecules. Molassembler provides algorithms for the construction of molecules built fro…