rinikerlab/GNNImplicitSolvent: Rapid Access to Small Molecule Conformational Ensembles in Organic Solvents Enabled by Graph Neural Network-Based Implicit Solvent Model
- DOI
- 10.5281/zenodo.15310941
- Published
- 2025
- Container
- Not recorded
- Publisher
- Zenodo
- Open access
- no
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Cite this work
BibTeX
@article{allodium:10.5281/zenodo.15310941,
title = {rinikerlab/GNNImplicitSolvent: Rapid Access to Small Molecule Conformational Ensembles in Organic Solvents Enabled by Graph Neural Network-Based Implicit Solvent Model},
author = {Paul Katzberger},
year = {2025},
doi = {10.5281/zenodo.15310941},
url = {https://doi.org/10.5281/zenodo.15310941}
}RIS
TY - JOUR TI - rinikerlab/GNNImplicitSolvent: Rapid Access to Small Molecule Conformational Ensembles in Organic Solvents Enabled by Graph Neural Network-Based Implicit Solvent Model AU - Paul Katzberger PY - 2025 DO - 10.5281/zenodo.15310941 UR - https://doi.org/10.5281/zenodo.15310941 ER -
APA
Katzberger, P. (2025). rinikerlab/GNNImplicitSolvent: Rapid Access to Small Molecule Conformational Ensembles in Organic Solvents Enabled by Graph Neural Network-Based Implicit Solvent Model. https://doi.org/10.5281/zenodo.15310941