7 citations · 12 across the 5 of their papers we have counts for
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cs.AI2026
From Benchmark to Bench: Can Agents Survive Real-World Drug Discovery?
Pierre Llompart, Levent Guner, Helen Lai +2
Agentic systems increasingly coordinate molecular-design tools, but it is unclear which layer of the stack limits outcomes on real projects. We developed MAGI, an open modular agen…
cs.LG2026
Ensemble-Conditioned Molecular Design
Ross Irwin, Alessandro Tibo, Jon Paul Janet +1
Molecular design is typically approached as a problem of finding molecules which can adopt a single bioactive conformation. In reality, molecules occupy a distribution over conform…