@article{BaenschDanielLanigetal.2024, author = {Felix B{\"a}nsch and Mirco Daniel and Harald Lanig and Christoph Steinbeck and Achim Zielesny}, title = {An automated calculation pipeline for differential pair interaction energies with molecular force fields using the Tinker Molecular Modeling Package}, journal = {Journal of Cheminformatics}, volume = {16 (2024)}, number = {Artikel Nr. 96}, doi = {10.1186/s13321-024-00890-5}, year = {2024}, }