PlayMolecule pKAce: Small Molecule Protonation through Equivariant Neural Networks

Fuente: arXiv

Saved in:

Bibliographic Details
Main Authors:	Schapin, Nikolai, Majewski, Maciej, Torrens-Fontanals, Mariona, De Fabritiis, Gianni
Format:	Preprint
Published:	2024
Subjects:	Quantitative Methods Machine Learning 92-08 J.3
Online Access:	Acceder al recurso
Tags:	Add Tag No Tags, Be the first to tag this record!

Internet

https://arxiv.org/abs/2407.11103