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Publication search results
found 7 matches
- 2024
- Dominic Phillips, Flaviu Cipcigan:
MetaGFN: Exploring Distant Modes with Adapted Metadynamics for Continuous GFlowNets. CoRR abs/2408.15905 (2024) - 2023
- James L. McDonagh, Benjamin H. Wunsch, Stamatia Zavitsanou, Alexander Harrison, Bruce Elmegreen, Stacey Gifford, Theodore van Kessel, Flaviu S. Cipcigan:
Machine Guided Discovery of Novel Carbon Capture Solvents. CoRR abs/2303.14223 (2023) - Flaviu Cipcigan, Jonathan Booth, Rodrigo Neumann Barros Ferreira, Carine Ribeiro dos Santos, Mathias Steiner:
Discovery of Novel Reticular Materials for Carbon Dioxide Capture using GFlowNets. CoRR abs/2310.07671 (2023) - Daniel Cunnington, Flaviu Cipcigan, Rodrigo Neumann Barros Ferreira, Jonathan Booth:
Symbolic Learning for Material Discovery. CoRR abs/2312.11487 (2023) - 2021
- Flaviu S. Cipcigan, Paul Smith, Jason Crain, Anders Hogner, Leonardo De Maria, Antonio Llinàs, Ekaterina Ratkova:
Membrane Permeability in Cyclic Peptides is Modulated by Core Conformations. J. Chem. Inf. Model. 61(1): 263-269 (2021) - 2020
- Payel Das, Tom Sercu, Kahini Wadhawan, Inkit Padhi, Sebastian Gehrmann, Flaviu S. Cipcigan, Vijil Chenthamarakshan, Hendrik Strobelt, Cícero Nogueira dos Santos, Pin-Yu Chen, Yi Yan Yang, Jeremy Tan, James Hedrick, Jason Crain, Aleksandra Mojsilovic:
Accelerating Antimicrobial Discovery with Controllable Deep Generative Models and Molecular Dynamics. CoRR abs/2005.11248 (2020) - 2016
- Flaviu S. Cipcigan, Vlad P. Sokhan, Jason Crain, Glenn J. Martyna:
Electronic coarse graining enhances the predictive power of molecular simulation allowing challenges in water physics to be addressed. J. Comput. Phys. 326: 222-233 (2016)
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