Ignacio Pickering

According to our database, Ignacio Pickering authored at least 2 papers between 2024 and 2025.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of five.

2025

TorchANI 2.0: An Extensible, High-Performance Library for the Design, Training, and Use of NN-IPs.

Ignacio Pickering, Jinze Xue, Kate Huddleston, Nicholas Terrel, Adrian E. Roitberg

J. Chem. Inf. Model., 2025

2024

Assessment of Embedding Schemes in a Hybrid Machine Learning/Classical Potentials (ML/MM) Approach.

Juan S. Grassano, Ignacio Pickering, Adrian E. Roitberg, Mariano C. González Lebrero, Dario A. Estrin, Jonathan Alexis Semelak

J. Chem. Inf. Model., 2024