65 citations · 65 across the 2 of their papers we have counts for
2 papers
physics.chem-ph2026
MDArena: Evaluating Coding Agents on Realistic Molecular Dynamics Workflows
Nithishwer Mouroug Anand, Wei-Tse Hsu, Kyle Vaccaro +6
Accelerating scientific discovery is among the most consequential applications of AI, and computational biomolecular simulation stands out as a particularly promising target within…
q-bio.BM2024★ 65 cited
The need to implement FAIR principles in biomolecular simulations
Rommie Amaro, Johan Åqvist, Ivet Bahar +125
This letter illustrates the opinion of the molecular dynamics (MD) community on the need to adopt a new FAIR paradigm for the use of molecular simulations. It highlights the necess…