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SaveA Computational Community Blind Challenge on Pan-Coronavirus Drug Discovery Data
MacDermott-Opeskin, Hugo; Scheen, Jenke; Wognum, Cas; Horton, Joshua T.; West, Devany; Payne, Alexander Matthew; Castellanos, Maria A.; Colby, Sean; Griffen, Edward; Cousins, David; Stacey, Jessica; Reid, Lauren; Aschenbrenner, Jasmin Cara; Fearon, Daren; Balcomb, Blake; Marples, Peter; Tomlinson, Charles W. E.; Lithgo, Ryan; Godoy, Andre S.; Winokan, Max; Barr, Haim; Lahav, Noa; Lavi, Michael; Duberstein, Shirley; Cohen, Galit; Fate, Gwendolyn; Lefker, Bruce; Robinson, Ralph; Szommer, Tamas; Lynch, Nick; Minh, David D. L.; Van Ngoc Thuy La; Kang, Lulu; Huddleston, Kate; Renslow, Ryan; Tollefson, Mallory; Walters, W. Patrick; Xu, Cynthia; Hsu, Jonny; St-Laurent, Julien; Etsmoberg, Honore; Zhu, Lu; Quirke, Andrew; Haleem, Mohamed Iliyas Abdul; Alibay, Irfan; Baid, Gunjan; Birnbaum, Benjamin; Bishop, Kevin P.; Bohorquez, Hugo; Bose, Ashmita; Brown, C. J.; Burns, Jackson; Cai, Lianjin; Cedeno, Ruel; de Cesco, Stephane; Chupakhin, Vladimir; Clark, Finlay; Cole, Daniel J.; Corbi-Verge, Carles; Danial, Muhammad; Davi, Alec; Dehaen, Wim; Doering, Niklas Piet; Dougha, Alexis; Dreanic, Marie-Pierre; Eakin, Bryce; Ehrlich, Anatol; Elijosius, Rokas; Fulop, Jozef; Gitter, Anthony; Goossens, Kenneth; Gu, Yaowen; Head-Gordon, Teresa; Hoffer, Laurent; Hofmans, Johan; Jiang, Ellena; Kaminow, Benjamin; Khosravi, Sina; Khoualdi, Asma Feriel; Lenselink, Eelke Bart; Liu, Zhirong; Liu, Yue; Liu, Sijie; Ma, Yizhou; Maher, Patrick; Mayer, Imke; Mendez-Lucio, Oscar; Mey, Antonia S. J. S.; Michel, Julien; Montanari, Floriane; Niu, Taoyu; Ogino, Ryusei; Palaniappan, Ashok; Pan, Xiaolin; Patnaik, Auro; Pham, Long-Hung; Pinto, Luis; Purnomo, Justin; Rich, Alex; Schaaf, Lars; Schran, Christoph; Singh, Rajeev Kumar; Srilakshmi, Mounika; Srivastava, Satya Pratik; Sun, Kunyang; Sun, Zhaoxi; Talagayev, Valerij; Balakrishnan, Balamurugan Thirukonda Subramanian; Titus, Ida; Tkatchenko, Alexandre; Treyde, Wojtek; Tricarico, Giovanni; Tripp, Austin; Vithayapalert, Nopsinth; Wang, Yingze; Wasi, Azmine Toushik; Wedig, Steffen; Wolber, Gerhard; Xu, Bofei; Zhou, Weijun; von Delft, Frank; Lee, Alpha; Kirkegaard, Karla; Sjo, Peter; Fraser, James S.; Chodera, John D.
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SaveThe CP2K Program Package Made Simple
Iannuzzi, Marcella; Wilhelm, Jan; Stein, Frederick; Bussy, Augustin; Elgabarty, Hossam; Golze, Dorothea; Hehn, Anna-Sophia; Graml, Maximilian; Marek, Stepan; Goekmen, Beliz Sertcan; Schran, Christoph; Forbert, Harald; Khaliullin, Rustam Z.; Kozhevnikov, Anton; Taillefumier, Mathieu; Meli, Rocco; Rybkin, Vladimir V.; Brehm, Martin; Schade, Robert; Schutt, Ole; Pototschnig, Johann V.; Mirhosseini, Hossein; Knuepfer, Andreas; Marx, Dominik; Krack, Matthias; Hutter, Jurg; Kuehne, Thomas D.
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SavePLUMED Tutorials: A collaborative, community-driven learning ecosystem
Tribello, 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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