PreprintLicence not statedChemRxiv
LigandFF: an open-source implementation of rule-based atom typing, charge assignment and parameter assignment by analogy
Related
- Extension of openCOSMO-RS Into a Full Open-Source Equation of State: Implementation, Parameterization, and Benchmarking
- (ImRN)2Fe: An Elusive Complex and the Limits of Its Ferrocene Analogy
- Regio- and Stereoselective Synthesis and Stereochemical Assignment of Ganaxolone C-3/C-5 Analogues
- Parity-equivariant prediction of conformer-resolved electronic circular dichroism spectra accelerates absolute configuration assignment
- Revisiting the CeO Anion Photoelectron Spectrum: Resolving the Assignment and Photodetachment Mechanism of Satellite Transitions
BibTeX
@misc{lee2026ligandff,
title = {{LigandFF: an open-source implementation of rule-based atom typing, charge assignment and parameter assignment by analogy}},
author = {Euihyun Lee and Carlos R. Baiz},
howpublished = {ChemRxiv},
year = {2026},
month = nov,
doi = {10.26434/chemrxiv.15011711/v1},
url = {https://chemrxiv.org/doi/full/10.26434/chemrxiv.15011711/v1},
}
RIS
TY - UNPB
TI - LigandFF: an open-source implementation of rule-based atom typing, charge assignment and parameter assignment by analogy
AU - Euihyun Lee
AU - Carlos R. Baiz
PY - 2026
DA - 2026/11/05
PB - ChemRxiv
DO - 10.26434/chemrxiv.15011711/v1
UR - https://chemrxiv.org/doi/full/10.26434/chemrxiv.15011711/v1
ER -