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algorithm python » algorithm within (Expand Search), algorithms within (Expand Search), algorithm both (Expand Search)
python function » protein function (Expand Search)
algorithm etc » algorithm _ (Expand Search), algorithm b (Expand Search), algorithm a (Expand Search)
algorithms fc » algorithms mc (Expand Search), algorithms _ (Expand Search), algorithms a (Expand Search)
etc function » spc function (Expand Search), npc function (Expand Search), beach function (Expand Search)
fc function » _ function (Expand Search), a function (Expand Search), 1 function (Expand Search)
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ClaritySpectra: Raman spectra analysis tool
Published 2025“…</li><li>Pre-compiled database from RRUFF and SLOPP that includes Hey Index of classification, chemistry, locality, paragenesis, mineral evolution stage, etc.</li></ul><h3>PEAK FITTING </h3><ul><li>Automated background subtraction using asymmetric least squares fitting</li><li>A new suggested background feature that lets you preview the background that you like best</li><li>Interactive background fitting lets you further tune the background to perfection</li><li>Four choice of peaks: Gaussian, Lorentzian, Pseudo-Voigt, and the new Asymmetric Voigt functions</li><li>Overlapping view of how well the peaks fit with quality metrics</li><li>No need to define regions, the algorithm is smart enough to what a peak looks like.…”
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Python code, input data, and outputs of Fourier analysis and Dynamic Time Warping from McGlasson et al.
Published 2024“…</p> <h4><strong>Python Function Files:</strong></h4> <p>radarfuncs.py: Holds three functions used for FFT and DTW analysis.…”
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Drug Release Nanoparticle System Design: Data Set Compilation and Machine Learning Modeling
Published 2025Subjects: -
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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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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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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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Generalized Internal Coordinates for Creative Exploration of Interatomic Geometries
Published 2025“…Our algorithm allows the user to create compound internal coordinates that are functions of other coordinates, as well as special-purpose coordinates for specific classes of problems. …”
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Generalized Internal Coordinates for Creative Exploration of Interatomic Geometries
Published 2025“…Our algorithm allows the user to create compound internal coordinates that are functions of other coordinates, as well as special-purpose coordinates for specific classes of problems. …”