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Large scale relative protein ligand binding affinities using non-equilibrium alchemy Autor Gapsys, Vytautas, Pérez-Benito, Laura, Aldeghi, Matteo, Seeliger, Daniel, van Vlijmen, Herman, Tresadern, Gary, de Groot, Bert L.

“…Ligand binding affinity calculations based on molecular dynamics (MD) simulations and non-physical (alchemical) thermodynamic cycles have shown great promise…”
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Extragalactic Magnetism with SOFIA (SALSA Legacy Program). III. First Data Release and On-the-fly Polarization Mapping Characterization The SOFIA Legacy Program for Magnetic Fields in Galaxies (SALSA) provides a software repository at https://github.com/galmagfields/hawc and publicly available data at http://galmagfields.com Autor Lopez-Rodriguez, Enrique, Clarke, Melanie, Shenoy, Sachin, Vacca, William, Coude, Simon, Arneson, Ryan, Ashton, Peter, Eftekharzadeh, Sarah, Beck, Rainer, Beckman, John E., Borlaff, Alejandro S., Clark, Susan E., Dale, Daniel A., Martin-Alvarez, Sergio, Ntormousi, Evangelia, Reach, William T., Roman-Duval, Julia, Tassis, Konstantinos, Harper, Doyal A., Marcum, Pamela M.

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AutoWISP: Automated Processing of Wide-field Color Images https://github.com/kpenev/AutoWISP Autor Romero, Angel E., Penev, Kaloyan, Jafarzadeh, S. Javad, Csubry, Zoltan, Hartman, Joel D., Bakos, Gáspár ’A.

“…We have developed a software pipeline, AutoWISP, for extracting high-precision photometry from citizen scientists’ observations made with consumer-grade color…”
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An Interpretable Machine-learning Framework for Modeling High-resolution Spectroscopic Data Open-source code at https://github.com/gully/blase Autor Gully-Santiago, Michael, Morley, Caroline V.

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MC-BLOS: Automated Software for Determining the Line-of-sight Component of Magnetic Fields Associated with Molecular Clouds∗ ∗Software available at https://github.com/MehrnooshTahani/MC-BLOS, DOI: 10.5281/zenodo.15338512 Autor Tahani, Mehrnoosh, Ngo, John Ming, Glover, Jennifer, Clairmont, Ryan, Zarazua, Gabriel M., Plume, René

“…While plane-of-sky magnetic field observations in molecular clouds are now common, observations of their line-of-sight magnetic field remain limited. To…”
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Katachi (形): Decoding the Imprints of Past Star Formation on Present-day Morphology in Galaxies with Interpretable CNNs https://github.com/juanpabloalfonzo/Katachi Autor Alfonzo, Juan Pablo, Iyer, Kartheik G., Akiyama, Masayuki, Bryan, Greg L., Cooray, Suchetha, Ludwig, Eric, Mowla, Lamiya, Omori, Kiyoaki C., Pacifici, Camilla, Speagle, Joshua S., Wu, John F.

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Extragalactic Magnetism with SOFIA (SALSA Legacy Program). IV. Program Overview and First Results on the Polarization Fraction SALSA provides a software repository at https://github.com/galmagfields/hawc and publicly available data at http://galmagfields.com Autor Lopez-Rodriguez, Enrique, Mao, Sui Ann, Beck, Rainer, Borlaff, Alejandro S., Ntormousi, Evangelia, Tassis, Konstantinos, Dale, Daniel A., Roman-Duval, Julia, Subramanian, Kandaswamy, Martin-Alvarez, Sergio, Marcum, Pamela M., Clark, Susan E., Reach, William T., Harper, Doyal A., Zweibel, Ellen G.

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Extragalactic Magnetism with SOFIA (Legacy Program). I. The Magnetic Field in the Multiphase Interstellar Medium of M51 The SOFIA Legacy Group for Magnetic Fields in Galaxies software repository is available at https://github.com/galmagfields/hawc via the official project website, http://galmagfields.com/, and Zenodo/GitHub, https://doi.org/10.5281/zenodo.5116134 Autor Borlaff, Alejandro S., Lopez-Rodriguez, Enrique, Beck, Rainer, Stepanov, Rodion, Ntormousi, Eva, Hughes, Annie, Tassis, Konstantinos, Marcum, Pamela M., Grosset, Lucas, Beckman, John E., Proudfit, Leslie, Clark, Susan E., Díaz-Santos, Tanio, Mao, Sui Ann, Reach, William T., Roman-Duval, Julia, Subramanian, Kandaswamy, Tram, Le Ngoc, Zweibel, Ellen G., Dale, Daniel

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Prediction of Astrometric-microlensing Events from Gaia eDR3 Proper Motions The results of the predicted microlensing events is available in electronic form via the GAVO Data Center https://dc.g-vo.org/amlensing/q3/q/form. † †The source code for this study is made publicly available https://github.com/jkluter/amlensing Autor Klüter, Jonas, Bastian, Ulrich, Demleitner, Markus, Wambsganss, Joachim

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Extragalactic Magnetism with SOFIA (SALSA Legacy Program): The Magnetic Fields in the Multiphase Interstellar Medium of the Antennae Galaxies SALSA provides a software repository at https://github.com/galmagfields/hawc, and publicly available data at http://galmagfields.com Autor Lopez-Rodriguez, Enrique, Borlaff, Alejandro S., Beck, Rainer, Reach, William T., Mao, Sui Ann, Ntormousi, Evangelia, Tassis, Konstantinos, Martin-Alvarez, Sergio, Clark, Susan E., Dale, Daniel A., Moral-Castro, Ignacio del

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Extragalactic Magnetism with SOFIA (Legacy Program) - II: A Magnetically Driven Flow in the Starburst Ring of NGC 1097 The SOFIA Legacy Program for Magnetic Fields in Galaxies provides a software repository at https://github.com/galmagfields/hawc and publicly available data at http://galmagfields.com Autor Lopez-Rodriguez, Enrique, Beck, Rainer, Clark, Susan E., Hughes, Annie, Borlaff, Alejandro S., Ntormousi, Evangelia, Grosset, Lucas, Tassis, Konstantinos, Beckman, John E., Subramanian, Kandaswamy, Dale, Daniel, Díaz-Santos, Tanio

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A formalism for sequential estimation of neural membrane time constant and input–output curve towards selective and closed-loop transcranial magnetic stimulation Matlab Code is available at https://github.com/smmalavi/TMS-tau-IOC-estim-fixed-tp Autor Alavi, S M Mahdi, Vila-Rodriguez, Fidel, Mahdi, Adam, Goetz, Stefan M

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The Evolving Interstellar Medium of Star-forming Galaxies, as Traced by Stardust https://github.com/VasilyKokorev/stardust Autor Kokorev, Vasily I., Magdis, Georgios E., Davidzon, Iary, Brammer, Gabriel, Valentino, Francesco, Daddi, Emanuele, Ciesla, Laure, Liu, Daizhong, Jin, Shuowen, Cortzen, Isabella, Delvecchio, Ivan, Giménez-Arteaga, Clara, Gómez-Guijarro, Carlos, Sargent, Mark, Toft, Sune, Weaver, John R.

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DRACON: disconnected graph neural network for atom mapping in chemical reactions Autor Nikitin, Filipp, Isayev, Olexandr, Strijov, Vadim

“…Machine learning solved many challenging problems in computer-assisted synthesis prediction (CASP). We formulate a reaction prediction problem in terms of…”
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IGRINS RV: A Precision Radial Velocity Pipeline for IGRINS Using Modified Forward Modeling in the Near-infrared https://github.com/shihyuntang/igrins_rv Autor Stahl, Asa G., Tang, Shih-Yun, Johns-Krull, Christopher M., Prato, L., Llama, Joe, Mace, Gregory N., Joon Lee, Jae, Oh, Heeyoung, Luna, Jessica, Jaffe, Daniel T.

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Reproducing High-energy Neutrino Emission from Short Gamma-Ray Bursts: Validation and Application to GRB 170817A Detailed code for this work is available at https://doi.org/10.5281/zenodo.17569170 and https://github.com/svamshi-9384/sgrb_neutrino_replication Autor Allada, Surya Vamshi

“…I reproduce the analytical framework of S. S. Kimura et al. for high-energy neutrino emission from short gamma-ray bursts. After verifying the model against S…”
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Interfacial nanomechanical heterogeneity of the E. coli biofilm matrix Autor Kreis, Christian Titus, Sullan, Ruby May A

“…The interface between bacterial biofilms and their environment plays a vital role in the recalcitrance of biofilms to biological, chemical, and mechanical…”
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End-to-end neuromorphic speech enhancement with PDM microphonesSource code will be available at https://github.com/NECOTIS/PDM-DNS Autor Arnaud Yarga, Sidi Yaya, Wood, Sean U N

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Machine learning dihydrogen activation in the chemical space surrounding Vaska's complex (The dataset is publicly available at Dataverse and GitHub (https://doi.org/10.5683/SP2/CJS7QA and https://github.com/pascalfriederich/vaskas-space, respectively). It includes the xyz files containing the coordinates of all complexes and transition states and the calculated energies and features used to train our machine learning models in a .csv file.) Autor Friederich, Pascal, Gabriel dos Passos Gomes, De Bin, Riccardo, Aspuru-Guzik, Alán, Balcells, David

“…Homogeneous catalysis using transition metal complexes is ubiquitously used for organic synthesis, as well as technologically relevant in applications such as…”
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Debris of Asteroid Disruptions Close to the Sun∗ ∗ Data and codes that generate the figures and main results of this work are publicly available on Zenodo (doi:10.5281/zenodo.2547298) and GitHub (https://github.com/Yeqzids/near-sun-disruptions) Autor Ye, Quanzhi, Granvik, Mikael

“…The under-abundance of asteroids on orbits with small perihelion distances suggests that thermally driven disruption may be an important process in the removal…”
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