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algorithm python » algorithm within (Expand Search), algorithms within (Expand Search), algorithm both (Expand Search)
algorithm islet » algorithm used (Expand Search), algorithm seu (Expand Search)
python function » protein function (Expand Search)
algorithm wave » algorithm based (Expand Search), algorithm where (Expand Search), algorithm a (Expand Search)
wave function » rate function (Expand Search), a function (Expand Search), gene function (Expand Search)
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Open Binding Pose Metadynamics: An Effective Approach for the Ranking of Protein–Ligand Binding Poses
Published 2022“…OpenBPMD is powered by the OpenMM simulation engine and uses a revised scoring function. The algorithm was validated by testing it on a wide range of targets and showing that it matches or exceeds the performance of the original BPMD. …”
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184
Open Binding Pose Metadynamics: An Effective Approach for the Ranking of Protein–Ligand Binding Poses
Published 2022“…OpenBPMD is powered by the OpenMM simulation engine and uses a revised scoring function. The algorithm was validated by testing it on a wide range of targets and showing that it matches or exceeds the performance of the original BPMD. …”
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185
Open Binding Pose Metadynamics: An Effective Approach for the Ranking of Protein–Ligand Binding Poses
Published 2022“…OpenBPMD is powered by the OpenMM simulation engine and uses a revised scoring function. The algorithm was validated by testing it on a wide range of targets and showing that it matches or exceeds the performance of the original BPMD. …”
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DataSheet1_Multi_Scale_Tools: A Python Library to Exploit Multi-Scale Whole Slide Images.PDF
Published 2021“…<p>Algorithms proposed in computational pathology can allow to automatically analyze digitized tissue samples of histopathological images to help diagnosing diseases. …”
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Contrast enhancement of digital images using dragonfly algorithm
Published 2024“…Comparisons with state-of-art methods ensure the superiority of the proposed algorithm. The Python implementation of the proposed approach is available in this <a href="https://github.com/somnath796/DA_contrast_enhancement" target="_blank">Github repository</a>.…”
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S1 File -
Published 2024“…In this study, we developed a computerized algorithm using the python package (pdfplumber) and validated against clinicians’ interpretation. …”
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S1 Dataset -
Published 2024“…In this study, we developed a computerized algorithm using the python package (pdfplumber) and validated against clinicians’ interpretation. …”
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192
State Preparation in Quantum Algorithms for Fragment-Based Quantum Chemistry
Published 2024“…The localized active space–unitary coupled cluster (LAS–UCC) algorithm iteratively loads a fragment-based multireference wave function onto a quantum computer. …”
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Active Learning Configuration Interaction for Excited-State Calculations of Polycyclic Aromatic Hydrocarbons
Published 2021“…These ALCI wave functions are promising and affordable starting points for the subsequent second-order perturbation theory or pair-density functional theory calculations.…”