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Andrew Dickson White

futurehouse

37H-index
298Paper Count
6.2KCitation Count
Published Papers 53
Publication Date
MDCrow: automating molecular dynamics workflows with large language models
err2026-03-30
err0
errOAAI
errQuintina Campbell; Sam Cox; Jorge Medina; Brittany Watterson; Andrew D White
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A Mu-Opioid Receptor Positive Allosteric Modulator Provides Opioid-Sparing Antinociception Without Enhancing Opioid Side-Effects
err2026-02-18
err0
PREAI
errKelsey E. Kochan; Benjamin M. Clements; Thomas D. Prince; Catherine Demery; Andrew D. White; Erica S. Levitt; John R. Traynor
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PLUMED Tutorials: A collaborative, community-driven learning ecosystem
err2025-03-07
err1
PREAI
errTribello, Gareth A.; Bonomi, Massimiliano; Bussi, Giovanni; Camilloni, Carlo; Armstrong, Blake I.; Arsiccio, Andrea; Aureli, Simone; Ballabio, Federico; Bernetti, Mattia; Bonati, Luigi; Brookes, Samuel G. H.; Brotzakis, Z. Faidon; Capelli, Riccardo; Ceriotti, Michele; Chan, Kam-Tung; Cossio, Pilar; Dasetty, Siva; Donadio, Davide; Ensing, Bernd; Ferguson, Andrew L.; Fraux, Guillaume; Gale, Julian D.; Gervasio, Francesco Luigi; Giorgino, Toni; Herringer, Nicholas S. M.; Hocky, Glen M.; Hoff, Samuel E.; Invernizzi, Michele; Languin-Cattoen, Olivier; Leone, Vanessa; Limongelli, Vittorio; Lopez-Acevedo, Olga; Marinelli, Fabrizio; Febrer Martinez, Pedro; Masetti, Matteo; Mehdi, Shams; Michaelides, Angelos; Murtada, Mhd Hussein; Parrinello, Michele; Piaggi, Pablo M.; Pietropaolo, Adriana; Pietrucci, Fabio; Pipolo, Silvio; Pritchard, Claire; Raiteri, Paolo; Raniolo, Stefano; Rapetti, Daniele; Rizzi, Valerio; Rydzewski, Jakub; Salvalaglio, Matteo; Schran, Christoph; Seal, Aniruddha; Shayesteh Zadeh, Armin; Silva, Tomas F. D.; Spiwok, Vojtech; Stirnemann, Guillaume; Sucerquia, Daniel; Tiwary, Pratyush; Valsson, Omar; Vendruscolo, Michele; Voth, Gregory A.; White, Andrew D.; Wu, Jiangbo
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Bioactive sucralfate-based microneedles promote wound healing through reprogramming macrophages and protecting endogenous growth factors
err2024-12-01
err7
PREAI
errLe, Zhicheng; Ramos, Mayk Caldas; Shou, Yufeng; Li, Renee R.; Cheng, Hong Sheng; Jang, Clarisse J. M.; Liu, Ling; Xue, Chencheng; Li, Xianlei; Liu, Hong; Lim, Chwee Teck; Tan, Nguan Soon; White, Andrew D.; Charles, Christopher John; Chen, Yongming; Liu, Zhijia; Tay, Andy
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Augmenting large language models with chemistry tools
err2024-05-08
err44
errOAAI
errBran, Andres M.; Cox, Sam; Schilter, Oliver; Baldassari, Carlo; White, Andrew D.; Schwaller, Philippe
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Learning peptide properties with positive examples only
err2024-01-01
err3
errOAAI
errAnsari, Mehrad; White, Andrew D.
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Bloom filters for molecules
err2023-10-12
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errOAAI
errMedina, Jorge; White, Andrew D.
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Neural potentials of proteins extrapolate beyond training data
err2023-08-29
err5
errOAAI
errWellawatte, Geemi P.; Hocky, Glen M.; White, Andrew D.
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A Perspective on Explanations of Molecular Prediction Models
err2023-03-27
err34
errOAAI
errWellawatte, Geemi P.; Gandhi, Heta A.; Seshadri, Aditi; White, Andrew D.
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14 examples of how LLMs can transform materials science and chemistry: a reflection on a large language model hackathon
err2023-01-01
err55
errOAAI
errJablonka, Kevin Maik; Ai, Qianxiang; Al-Feghali, Alexander; Badhwar, Shruti; Bocarsly, Joshua D.; Bran, Andres M.; Bringuier, Stefan; Brinson, L. Catherine; Choudhary, Kamal; Circi, Defne; Cox, Sam; de Jong, Wibe A.; Evans, Matthew L.; Gastellu, Nicolas; Genzling, Jerome; Gil, Maria Victoria; Gupta, Ankur K.; Hong, Zhi; Imran, Alishba; Kruschwitz, Sabine; Labarre, Anne; Lala, Jakub; Liu, Tao; Ma, Steven; Majumdar, Sauradeep; Merz, Garrett W.; Moitessier, Nicolas; Moubarak, Elias; Mourino, Beatriz; Pelkie, Brenden; Pieler, Michael; Ramos, Mayk Caldas; Rankovic, Bojana; Rodriques, Samuel G.; Sanders, Jacob N.; Schwaller, Philippe; Schwarting, Marcus; Shi, Jiale; Smit, Berend; Smith, Ben E.; Van Herck, Joren; Voelker, Christoph; Ward, Logan; Warren, Sean; Weiser, Benjamin; Zhang, Sylvester; Zhang, Xiaoqi; Zia, Ghezal Ahmad; Scourtas, Aristana; Schmidt, K. J.; Foster, Ian; White, Andrew D.; Blaiszik, Ben
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Recent advances in the self-referencing embedded strings (SELFIES) library
err2023-01-01
err6
errOAAI
errLo, Alston; Pollice, Robert; Nigam, Akshatkumar; White, Andrew D.; Krenn, Mario; Aspuru-Guzik, Alan
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SELFIES and the future of molecular string representations
err2022-10-01
err80
errOAAI
errKrenn, Mario; Ai, Qianxiang; Barthel, Senja; Carson, Nessa; Frei, Angelo; Frey, Nathan C.; Friederich, Pascal; Gaudin, Theophile; Gayle, Alberto Alexander; Jablonka, Kevin Maik; Lameiro, Rafael F.; Lemm, Dominik; Lo, Alston; Moosavi, Seyed Mohamad; Napoles-Duarte, Jose Manuel; Nigam, AkshatKumar; Pollice, Robert; Rajan, Kohulan; Schatzschneider, Ulrich; Schwaller, Philippe; Skreta, Marta; Smit, Berend; Strieth-Kalthoff, Felix; Sun, Chong; Tom, Gary; von Rudorff, Guido Falk; Wang, Andrew; White, Andrew D.; Young, Adamo; Yu, Rose; Aspuru-Guzik, Alan
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