Raquel Lopez-Rios de Castro

According to our database, Raquel Lopez-Rios de Castro authored at least 5 papers between 2022 and 2025.

Collaborative distances:

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

2025

PyPackIT: Automated Research Software Engineering for Scientific Python Applications on GitHub.

Armin Ariamajd, Raquel Lopez-Rios de Castro, Andrea Volkamer

CoRR, March, 2025

Automated Analysis of Soft Matter Interfaces, Interactions, and Self-Assembly with PySoftK.

Raquel Lopez-Rios de Castro, Alejandro Santana-Bonilla, Robert M. Ziolek, Christian D. Lorenz

J. Chem. Inf. Model., 2025

2023

Faster and more diverse de novo molecular optimization with double-loop reinforcement learning using augmented SMILES.

Esben Jannik Bjerrum, Christian Margreitter, Thomas Blaschke, Simona Kolarova, Raquel Lopez-Rios de Castro

J. Comput. Aided Mol. Des., August, 2023

Modular Software for Generating and Modeling Diverse Polymer Databases.

Alejandro Santana-Bonilla, Raquel Lopez-Rios de Castro, Peike Sun, Robert M. Ziolek, Christian D. Lorenz

J. Chem. Inf. Model., June, 2023

2022

Faster and more diverse de novo molecular optimization with double-loop reinforcement learning using augmented SMILES.

Esben Jannik Bjerrum, Christian Margreitter, Thomas Blaschke, Raquel Lopez-Rios de Castro

CoRR, 2022