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Chemical Tools for Chemistry students.
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published 1.2.14 • 20 days ago
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Generator for the different cheminfo organizations
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published 4.5.2 • 2 months ago
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A module to provide the potential modification sites of a peptide
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published 1.0.4 • a year ago
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Manipulate molecules
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published 7.2.3 • 2 months ago
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Type Safe Chemical Elements
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published 1.0.1 • a year ago
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Simple utility library for providing information about the periodic table and the elements.
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published 0.0.1 • 7 months ago
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Chemical data formats
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published 2.9.0 • 2 months ago
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Calculate and apply the optimal transformation matrix that minimizes the RMSD (root mean squared deviation) between two paired sets of points.
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published 0.0.6 • a year ago
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A module to provide unimod modifications
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published 1.1.1 • 2 years ago
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Molecule
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published 2.9.0 • 2 months ago
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Given a set of atomic positions and a potential energy calculator, provides a function that steps in the direction of the force.
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published 1.0.1 • a year ago
