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2020 – today
- 2025
[i4]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:
TxPert: Leveraging Biochemical Relationships for Out-of-Distribution Transcriptomic Perturbation Prediction. CoRR abs/2505.14919 (2025)- [i3]Cassandra Masschelein, Michelle Richer, Paul W. Ayers:
Optimizing and benchmarking the computation of the permanent of general matrices. CoRR abs/2510.03421 (2025) - [i2]Salomé Guilbert, Cassandra Masschelein, Jeremy Goumaz, Bohdan Naida, Philippe Schwaller:
DynaMate: An Autonomous Agent for Protein-Ligand Molecular Dynamics Simulations. CoRR abs/2512.10034 (2025) - [i1]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:
Accelerating Scientific Discovery with Autonomous Goal-evolving Agents. CoRR abs/2512.21782 (2025)
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