Clik here to view.
ChemOS: Orchestrating autonomous experimentation.
Florian Häse, Christoph Kreisbeck, Teresa Tamayo-Mendoza, Lars P. E. Yunker, Jason E. Hein, Alán Aspuru-Guzik: ChemOS: Orchestrating autonomous experimentation. Sci. Robotics 3(19) (2018)
View ArticleClik here to view.
SELFIES: a robust representation of semantically constrained graphs with an...
Mario Krenn, Florian Häse, AkshatKumar Nigam, Pascal Friederich, Alán Aspuru-Guzik: SELFIES: a robust representation of semantically constrained graphs with an example application in chemistry. CoRR...
View ArticleClik here to view.
Olympus: a benchmarking framework for noisy optimization and experiment...
Florian Häse, Matteo Aldeghi, Riley J. Hickman, Loïc M. Roch, Melodie Christensen, Elena Liles, Jason E. Hein, Alán Aspuru-Guzik: Olympus: a benchmarking framework for noisy optimization and experiment...
View ArticleClik here to view.
Gryffin: An algorithm for Bayesian optimization for categorical variables...
Florian Häse, Loïc M. Roch, Alán Aspuru-Guzik: Gryffin: An algorithm for Bayesian optimization for categorical variables informed by physical intuition with applications to chemistry. CoRR...
View ArticleClik here to view.
Self-referencing embedded strings (SELFIES): A 100% robust molecular string...
Mario Krenn, Florian Häse, AkshatKumar Nigam, Pascal Friederich, Alán Aspuru-Guzik: Self-referencing embedded strings (SELFIES): A 100% robust molecular string representation. Mach. Learn. Sci....
View ArticleClik here to view.
Golem: An algorithm for robust experiment and process optimization.
Matteo Aldeghi, Florian Häse, Riley J. Hickman, Isaac Tamblyn, Alán Aspuru-Guzik: Golem: An algorithm for robust experiment and process optimization. CoRR abs/2103.03716 (2021)
View ArticleClik here to view.
Gemini: Dynamic Bias Correction for Autonomous Experimentation and Molecular...
Riley J. Hickman, Florian Häse, Loïc M. Roch, Alán Aspuru-Guzik: Gemini: Dynamic Bias Correction for Autonomous Experimentation and Molecular Simulation. CoRR abs/2103.03391 (2021)
View ArticleClik here to view.
Olympus: a benchmarking framework for noisy optimization and experiment...
Florian Häse, Matteo Aldeghi, Riley J. Hickman, Loïc M. Roch, Melodie Christensen, Elena Liles, Jason E. Hein, Alán Aspuru-Guzik: Olympus: a benchmarking framework for noisy optimization and experiment...
View ArticleClik here to view.
On scientific understanding with artificial intelligence.
Mario Krenn, Robert Pollice, Si Yue Guo, Matteo Aldeghi, Alba Cervera-Lierta, Pascal Friederich, Gabriel dos Passos Gomes, Florian Häse, Adrian Jinich, AkshatKumar Nigam, Zhenpeng Yao, Alán...
View ArticleClik here to view.
Bayesian optimization with known experimental and design constraints for...
Riley J. Hickman, Matteo Aldeghi, Florian Häse, Alán Aspuru-Guzik: Bayesian optimization with known experimental and design constraints for chemistry applications. CoRR abs/2203.17241 (2022)
View Article
