BioNeMo Framework: a modular, high-performance library for AI model development in drug discovery

Autor: John, Peter St., Lin, Dejun, Binder, Polina, Greaves, Malcolm, Shah, Vega, John, John St., Lange, Adrian, Hsu, Patrick, Illango, Rajesh, Ramanathan, Arvind, Anandkumar, Anima, Brookes, David H, Busia, Akosua, Mahajan, Abhishaike, Malina, Stephen, Prasad, Neha, Sinai, Sam, Edwards, Lindsay, Gaudelet, Thomas, Regep, Cristian, Steinegger, Martin, Rost, Burkhard, Brace, Alexander, Hippe, Kyle, Naef, Luca, Kamata, Keisuke, Armstrong, George, Boyd, Kevin, Cao, Zhonglin, Chou, Han-Yi, Chu, Simon, Costa, Allan dos Santos, Darabi, Sajad, Dawson, Eric, Didi, Kieran, Fu, Cong, Geiger, Mario, Gill, Michelle, Hsu, Darren, Kaushik, Gagan, Korshunova, Maria, Kothen-Hill, Steven, Lee, Youhan, Liu, Meng, Livne, Micha, McClure, Zachary, Mitchell, Jonathan, Moradzadeh, Alireza, Mosafi, Ohad, Nashed, Youssef, Paliwal, Saee, Peng, Yuxing, Rabhi, Sara, Ramezanghorbani, Farhad, Reidenbach, Danny, Ricketts, Camir, Roland, Brian, Shah, Kushal, Shimko, Tyler, Sirelkhatim, Hassan, Srinivasan, Savitha, Stern, Abraham C, Toczydlowska, Dorota, Veccham, Srimukh Prasad, Venanzi, Niccolò Alberto Elia, Vorontsov, Anton, Wilber, Jared, Wilkinson, Isabel, Wong, Wei Jing, Xue, Eva, Ye, Cory, Yu, Xin, Zhang, Yang, Zhou, Guoqing, Zandstein, Becca, Dallago, Christian, Trentini, Bruno, Kucukbenli, Emine, Rvachov, Timur, Calleja, Eddie, Israeli, Johnny, Clifford, Harry, Haukioja, Risto, Haemel, Nicholas, Tretina, Kyle, Tadimeti, Neha, Costa, Anthony B

Artificial Intelligence models encoding biology and chemistry are opening new routes to high-throughput and high-quality in-silico drug development. However, their training increasingly relies on computational scale, with recent protein language mode

Externí odkaz: http://arxiv.org/abs/2411.10548

Discovering the critical number of respondents to validate an item in a questionnaire: The Binomial Cut-level Content Validity proposal

Autor: Costa, Helder Gomes, Shimoda, Eduardo, Costa, José Fabiano da Serra, Shimoya, Aldo, Eufrazio, Edilvando Pereira

The question that drives this research is: "How to discover the number of respondents that are necessary to validate items of a questionnaire as actually essential to reach the questionnaire's proposal?" Among the efforts in this subject, \cite{Lawsh

Externí odkaz: http://arxiv.org/abs/2410.11151

An accurate solar axions ray-tracing response of BabyIAXO

Autor: Ahyoune, S., Altenmueller, K., Antolin, I., Basso, S., Brun, P., Candon, F. R., Castel, J. F., Cebrian, S., Chouhan, D., Della Ceca, R., Cervera-Cortes, M., Chernov, V., Civitani, M. M., Cogollos, C., Costa, E., Cotroneo, V., Dafni, T., Derbin, A., Desch, K., Diaz-Martin, M. C., Diaz-Morcillo, A., Diez-Ibanez, D., Pardos, C. Diez, Dinter, M., Doebrich, B., Drachnev, I., Dudarev, A., Ezquerro, A., Fabiani, S., Ferrer-Ribas, E., Finelli, F., Fleck, I., Galan, J., Galanti, G., Galaverni, M., Garcia, J. A., Garcia-Barcelo, J. M., Gastaldo, L., Giannotti, M., Giganon, A., Goblin, C., Goyal, N., Gu, Y., Hagge, L., Helary, L., Hengstler, D., Heuchel, D., Hoof, S., Iglesias-Marzoa, R., Iguaz, F. J., Iniguez, C., Irastorza, I. G., Jakovcic, K., Kaefer, D., Kaminski, J., Karstensen, S., Law, M., Lindner, A., Loidl, M., Loiseau, C., Lopez-Alegre, G., Lozano-Guerrero, A., Lubsandorzhiev, B., Luzon, G., Manthos, I., Margalejo, C., Marin-Franch, A., Marques, J., Marutzky, F., Menneglier, C., Mentink, M., Mertens, S., Miralda-Escude, J., Mirallas, H., Muleri, F., Muratova, V., Navarro-Madrid, J. R., Navick, X. F., Nikolopoulos, K., Notari, A., Nozik, A., Obis, L., Ortiz-de-Solorzano, A., O'Shea, T., von Oy, J., Pareschi, G., Papaevangelou, T., Perez, K., Perez, O., Picatoste, E., Pivovaroff, M. J., Porron, J., Puyuelo, M. J., Quintana, A., Redondo, J., Reuther, D., Ringwald, A., Rodrigues, M., Rubini, A., Rueda-Teruel, S., Rueda-Teruel, F., Ruiz-Choliz, E., Ruz, J., Schaffran, J., Schiffer, T., Schmidt, S., Schneekloth, U., Schoenfeld, L., Schott, M., Segui, L., Singh, U. R., Soffitta, P., Spiga, D., Stern, M., Straniero, O., Tavecchio, F., Unzhakov, E., Ushakov, N. A., Vecchi, G., Vogel, J. K., Voronin, D. M., Ward, R., Weltman, A., Wiesinger, C., Wolf, R., Yanes-Diaz, A., Yu, Y.

BabyIAXO is the intermediate stage of the International Axion Observatory (IAXO) to be hosted at DESY. Its primary goal is the detection of solar axions following the axion helioscope technique. Axions are converted into photons in a large magnet tha

Externí odkaz: http://arxiv.org/abs/2411.13915

Mode-selective Raman imaging of metal-organic frameworks reveals surface heterogeneities of single HKUST-1 crystals

Autor: Ferreira, Matheus Esteves, Del Grande, Mariana, Oliveira, Felipe Lopes, Ferreira, Rodrigo Neumann Barros, da Silva, Ademir Ferreira, Carvalho, Pamela Costa, Lima, Geisa, Jorio, Ado, Steiner, Mathias

Metal organic frameworks (MOFs) are nanoporous materials with high surface-to-volume ratio that have potential applications as gas sorbents. Sample quality is, however, often compromised and it is unclear how defects and surface contaminants affect t

Externí odkaz: http://arxiv.org/abs/2411.14644

Multimodal Autoregressive Pre-training of Large Vision Encoders

Autor: Fini, Enrico, Shukor, Mustafa, Li, Xiujun, Dufter, Philipp, Klein, Michal, Haldimann, David, Aitharaju, Sai, da Costa, Victor Guilherme Turrisi, Béthune, Louis, Gan, Zhe, Toshev, Alexander T, Eichner, Marcin, Nabi, Moin, Yang, Yinfei, Susskind, Joshua M., El-Nouby, Alaaeldin

We introduce a novel method for pre-training of large-scale vision encoders. Building on recent advancements in autoregressive pre-training of vision models, we extend this framework to a multimodal setting, i.e., images and text. In this paper, we p

Externí odkaz: http://arxiv.org/abs/2411.14402