Tartarus: A Benchmarking Platform for Realistic And Practical Inverse Molecular Design.
AkshatKumar NigamRobert PolliceGary TomKjell JornerLuca A. ThiedeAnshul KundajeAlán Aspuru-GuzikPublished in: CoRR (2022)
Keyphrases
- design process
- real world
- rapid prototyping
- computer aided
- data sets
- design concepts
- design considerations
- design tools
- engineering design
- knowledge based systems
- user interface
- three dimensional
- real life
- building blocks
- data structure
- user experience
- design principles
- website
- design decisions
- design methodology
- genetic algorithm
- machine learning
- data mining
- simulation software
- real time