Sergio Bacallado

According to our database, Sergio Bacallado authored at least 6 papers between 2015 and 2024.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of three.

2024

Graph neural processes for molecules: an evaluation on docking scores and strategies to improve generalization.

Miguel García-Ortegón, Srijit Seal, Carl Rasmussen, Andreas Bender, Sergio Bacallado

J. Cheminformatics, December, 2024

2023

Tanimoto Random Features for Scalable Molecular Machine Learning.

Austin Tripp, Sergio Bacallado, Sukriti Singh, José Miguel Hernández-Lobato

Proceedings of the Advances in Neural Information Processing Systems 36: Annual Conference on Neural Information Processing Systems 2023, 2023

2022

DOCKSTRING: Easy Molecular Docking Yields Better Benchmarks for Ligand Design.

Miguel García-Ortegón, Gregor N. C. Simm, Austin J. Tripp, José Miguel Hernández-Lobato, Andreas Bender, Sergio Bacallado

J. Chem. Inf. Model., 2022

Conditional Neural Processes for Molecules.

Miguel Garcia-Ortegon, Andreas Bender, Sergio Bacallado

CoRR, 2022

2017

Sequential Matrix Completion.

Annie Marsden, Sergio Bacallado

CoRR, 2017

2015

de Finetti Priors using Markov chain Monte Carlo computations.

Sergio Bacallado, Persi Diaconis, Susan P. Holmes

Stat. Comput., 2015