Cassandra Masschelein

According to our database, Cassandra Masschelein authored at least 4 papers in 2025.

Collaborative distances:

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

2025

Accelerating Scientific Discovery with Autonomous Goal-evolving Agents.

Yuanqi Du, Botao Yu, Tianyu Liu, Tony Shen, Junwu Chen, Jan G. Rittig, Kunyang Sun, Yikun Zhang, Zhangde Song, Bo Zhou, Cassandra Masschelein, Yingze Wang, Haorui Wang, Haojun Jia, Chao Zhang, Hongyu Zhao, Martin Ester, Teresa Head-Gordon, Carla P. Gomes, Huan Sun, Chenru Duan, Philippe Schwaller, Wengong Jin

CoRR, December, 2025

DynaMate: An Autonomous Agent for Protein-Ligand Molecular Dynamics Simulations.

Salomé Guilbert, Cassandra Masschelein, Jeremy Goumaz, Bohdan Naida, Philippe Schwaller

CoRR, December, 2025

Optimizing and benchmarking the computation of the permanent of general matrices.

Cassandra Masschelein, Michelle Richer, Paul W. Ayers

CoRR, October, 2025

TxPert: Leveraging Biochemical Relationships for Out-of-Distribution Transcriptomic Perturbation Prediction.

Frederik Wenkel, Wilson Tu, Cassandra Masschelein, Hamed Shirzad, Cian Eastwood, Shawn Whitfield, Ihab Bendidi, Craig Russell, Liam Hodgson, Yassir El Mesbahi, Jiarui Ding, Marta M. Fay, Berton Earnshaw, Emmanuel Noutahi, Alisandra Kaye Denton

CoRR, May, 2025