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Tartarus: A Benchmarking Platform for Realistic And Practical Inverse Molecular Design.
AkshatKumar Nigam
Robert Pollice
Gary Tom
Kjell Jorner
John Willes
Luca A. Thiede
Anshul Kundaje
Alán Aspuru-Guzik
Published in:
NeurIPS (2023)
Keyphrases
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real world
primary purpose
design process
knowledge based systems
case study
data mining
three dimensional
user interface
search engine
building blocks
conceptual framework
engineering design
design methodology
optimal design
distributed architecture
molecular dynamics
database