28 citations · 68 across the 6 of their papers we have counts for
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cs.LG2022
Waveflow: boundary-conditioned normalizing flows applied to fermionic wavefunctions
Luca Thiede, Chong Sun, Alán Aspuru-Guzik
An efficient and expressive wavefunction ansatz is key to scalable solutions for complex many-body electronic structures. While Slater determinants are predominantly used for const…
cs.CE2022★ 28 cited
Tartarus: A Benchmarking Platform for Realistic And Practical Inverse Molecular Design
AkshatKumar Nigam, Robert Pollice, Gary Tom +5
The efficient exploration of chemical space to design molecules with intended properties enables the accelerated discovery of drugs, materials, and catalysts, and is one of the mos…