Digital Discovery, 2024, Accepted ManuscriptDOI: 10.1039/D4DD00018H, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Robin Ruff, Patrick Reiser, Jan Stühmer, Pascal FriederichGraph neural netwo…
Digital Discovery, 2024, Accepted ManuscriptDOI: 10.1039/D3DD00214D, Paper Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Shuyi Jia, Akaash Raghunathan Parthasarathy, Rui Feng, Guojing…
Digital Discovery, 2024, Advance ArticleDOI: 10.1039/D3DD00073G, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.James L. McDonagh, Stamatia Zavitsanou, Alexander Harrison, Dimitry Zubarev, The…
Digital Discovery, 2024, Advance ArticleDOI: 10.1039/D3DD00179B, Paper Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Satyanarayana Bonakala, Michael Aupetit, Halima Bensmail, Fedwa El…
Digital Discovery, 2024, Advance ArticleDOI: 10.1039/D3DD00239J, Paper Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Zhiling Zheng, Zhiguo He, Omar Khattab, Nakul Rampal, Matei A. Zah…
Digital Discovery, 2024, Advance ArticleDOI: 10.1039/D3DD00219E, Paper Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Junren Li, Lei Fang, Jian-Guang LouRetro-BLEU is a statistical met…
Digital Discovery, 2024, Advance ArticleDOI: 10.1039/D3DD00233K, Paper Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Mingjian Wen, Matthew K. Horton, Jason M. Munro, Patrick Huck, Kri…
Digital Discovery, 2024, Accepted ManuscriptDOI: 10.1039/D3DD00126A, Paper Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Benjamin Smith, Bharat Pant, Yongtao Liu, Yu-Chen Liu, Jan-Chi…
Digital Discovery, 2024, Advance ArticleDOI: 10.1039/D3DD00204G, Tutorial Review Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Maximilian P. Niroomand, Luke Dicks, Edward O. Pyzer-Knapp, David J. W…
Digital Discovery, 2024, Advance ArticleDOI: 10.1039/D3DD00077J, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Maxwell P. Bobbin, Samiha Sharlin, Parivash Feyzishendi, An Hong Dang, Catherine…