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Computational approaches in drug chemistry leveraging python powered QSPR study of antimalaria compounds by using artificial neural networks
Ahmed, Wakeel, Ashraf, Tamseela, Saleem, Maliha Tehseen, Mahmoud, Emad E., Ali, Kashif, Zaman, Shahid, Belay, Melaku Berhe
Published in Scientific reports (02.06.2025)
Published in Scientific reports (02.06.2025)
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Journal Article
SciPy 1.0: fundamental algorithms for scientific computing in Python
Virtanen, Pauli, Gommers, Ralf, Oliphant, Travis E., Haberland, Matt, Reddy, Tyler, Cournapeau, David, Burovski, Evgeni, Peterson, Pearu, Weckesser, Warren, Bright, Jonathan, van der Walt, Stéfan J., Brett, Matthew, Wilson, Joshua, Millman, K. Jarrod, Mayorov, Nikolay, Nelson, Andrew R. J., Jones, Eric, Kern, Robert, Larson, Eric, Carey, C J, Polat, İlhan, Feng, Yu, Moore, Eric W., VanderPlas, Jake, Laxalde, Denis, Perktold, Josef, Cimrman, Robert, Henriksen, Ian, Quintero, E. A., Harris, Charles R., Archibald, Anne M., Ribeiro, Antônio H., Pedregosa, Fabian, van Mulbregt, Paul
Published in Nature methods (01.03.2020)
Published in Nature methods (01.03.2020)
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Journal Article
A Python Algorithm to Analyze Inelastic Neutron Scattering Spectra Based on the y‑Scale Formalism
Scatigno, Claudia, Romanelli, Giovanni, Preziosi, Enrico, Zanetti, Matteo, Parker, Stewart F, Rudić, Svemir, Andreani, Carla, Senesi, Roberto
Published in Journal of chemical theory and computation (08.12.2020)
Published in Journal of chemical theory and computation (08.12.2020)
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Journal Article
Correct orchestration of federated learning generic algorithms: Python translation to CSP and verification by PAT
Djukic, Miodrag, Prokić, Ivan, Popovic, Miroslav, Ghilezan, Silvia, Popovic, Marko, Prokić, Simona
Published in International journal on software tools for technology transfer (01.02.2025)
Published in International journal on software tools for technology transfer (01.02.2025)
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Journal Article
Cadabra and Python algorithms in general relativity and cosmology II: Gravitational waves
Castillo-Felisola, Oscar, Price, Dominic T., Scomparin, Mattia
Published in Computer physics communications (01.08.2023)
Published in Computer physics communications (01.08.2023)
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Journal Article
gym-flp: A Python Package for Training Reinforcement Learning Algorithms on Facility Layout Problems
Heinbach, Benjamin, Burggräf, Peter, Wagner, Johannes
Published in Operations Research Forum (05.03.2024)
Published in Operations Research Forum (05.03.2024)
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Journal Article
Technical Note: PYRO‐NN: Python reconstruction operators in neural networks
Syben, Christopher, Michen, Markus, Stimpel, Bernhard, Seitz, Stephan, Ploner, Stefan, Maier, Andreas K.
Published in Medical physics (Lancaster) (01.11.2019)
Published in Medical physics (Lancaster) (01.11.2019)
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Journal Article
A Deep Dive into Machine Learning: The Roles of Neural Networks and Random Forests in QSPR Analysis
Ahmed, Wakeel, Ashraf, Tamseela, AlMutairi, Dalal, Zaman, Shahid, Ahmed, Shakeel, Ehsan, Huma
Published in BioNanoScience (01.03.2025)
Published in BioNanoScience (01.03.2025)
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Journal Article
Portable BLAST-like algorithm library and its implementations for command line, Python, and R
Schmid, Steven, Jeevannavar, Aditya, Julian, Timothy R., Tamminen, Manu
Published in PloS one (30.11.2023)
Published in PloS one (30.11.2023)
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Journal Article