Naruki Yoshikawa
Naruki Yoshikawa
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Population-based de novo molecule generation, using grammatical evolution
N Yoshikawa, K Terayama, M Sumita, T Homma, K Oono, K Tsuda
Chemistry Letters 47 (11), 1431-1434, 2018
Fast, efficient fragment-based coordinate generation for Open Babel
N Yoshikawa, GR Hutchison
Journal of cheminformatics 11 (1), 49, 2019
Large language models for chemistry robotics
N Yoshikawa, M Skreta, K Darvish, S Arellano-Rubach, Z Ji, ...
Autonomous Robots 47 (8), 1057-1086, 2023
Assigning confidence to molecular property prediction
AK Nigam, R Pollice, MFD Hurley, RJ Hickman, M Aldeghi, N Yoshikawa, ...
Expert opinion on drug discovery 16 (9), 1009-1023, 2021
Automatic differentiation for the direct minimization approach to the Hartree–Fock method
N Yoshikawa, M Sumita
The Journal of Physical Chemistry A 126 (45), 8487-8493, 2022
Digital pipette: open hardware for liquid transfer in self-driving laboratories
N Yoshikawa, K Darvish, MG Vakili, A Garg, A Aspuru-Guzik
Digital Discovery 2 (6), 1745-1751, 2023
Twitter integration of chemistry software tools
N Yoshikawa, R Kubo, KZ Yamamoto
Journal of Cheminformatics 13 (1), 46, 2021
Self-driving laboratories for chemistry and materials science
G Tom, SP Schmid, SG Baird, Y Cao, K Darvish, H Hao, S Lo, ...
ORGANA: A Robotic Assistant for Automated Chemistry Experimentation and Characterization
K Darvish, M Skreta, Y Zhao, N Yoshikawa, S Som, M Bogdanovic, Y Cao, ...
arXiv preprint arXiv:2401.06949, 2024
Augmented Lagrangian method for spin‐coupled wave function
M Sumita, N Yoshikawa
International Journal of Quantum Chemistry 121 (18), e26746, 2021
Chemspyd: an open-source python interface for Chemspeed robotic chemistry and materials platforms
M Seifrid, F Strieth-Kalthoff, M Haddadnia, TC Wu, E Alca, L Bodo, ...
Digital Discovery, 2024
LLM Drug Discovery Challenge: A Contest as a Feasibility Study on the Utilization of Large Language Models in Medicinal Chemistry
K Murakumo, N Yoshikawa, K Rikimaru, S Nakamura, K Furui, T Suzuki, ...
AI for Accelerated Materials Design-NeurIPS 2023 Workshop, 2023
Sanitize It Yourself: Web-based molecular sanitization for machine-generated chemical structures
N Yoshikawa, K Rikimaru, K Yamamoto
Combining probabilistic alignments with read pair information improves accuracy of split-alignments
AMS Shrestha, N Yoshikawa, K Asai
Bioinformatics 34 (21), 3631-3637, 2018
From eyes to cameras: Computer vision for high-throughput liquid-liquid separation
R El-khawaldeh, A Mandal, N Yoshikawa, W Zhang, R Corkery, P Prieto, ...
Device, 2024
Does one need to polish electrodes in an eight pattern? Automation provides the answer.
N Yoshikawa, GD Akkoc, S Pablo-García, Y Cao, H Hao, A Aspuru-Guzik
An affordable platform for automated synthesis and electrochemical characterization
S Pablo-García, Á García, GD Akkoc, M Sim, Y Cao, M Somers, C Hattrick, ...
Available at SSRN 4815518, 2024
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