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DASH-tree Public
Forked from rinikerlab/DASH-treePartial Charge assignment for Molecular Dynamics
Python MIT License UpdatedDec 15, 2025 -
rdkit Public
Forked from rdkit/rdkitThe official sources for the RDKit library
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xtb Public
Forked from grimme-lab/xtbSemiempirical Extended Tight-Binding Program Package
Fortran GNU Lesser General Public License v3.0 UpdatedNov 10, 2025 -
knime-lwreg Public
Forked from rdkit/knime-lwregKNIME nodes for working with lwreg
Python MIT License UpdatedOct 24, 2025 -
TorsionAngularBinStrings Public
Forked from rinikerlab/TorsionAngularBinStrings(T)orsion (A)ngular (B)in (S)trings: Quantifying flexibility by introducing a discrete vector representation of a conformer's dihedral angles to allow for counting of states.
Jupyter Notebook MIT License UpdatedOct 20, 2025 -
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lightweight-registration Public
Forked from rinikerlab/lightweight-registrationJupyter Notebook MIT License UpdatedMar 20, 2025 -
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Books-2 Public
Forked from GunterMueller/Books-2Best selection of my books, common to all.
UpdatedOct 26, 2017
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