rmsd VS datamol

Compare rmsd vs datamol and see what are their differences.

rmsd

Calculate Root-mean-square deviation (RMSD) of two molecules, using rotation, in xyz or pdb format (by charnley)
rmsd Xyz Pdb Alignment molecule Structure Reordering kabsch atoms assignment
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datamol

Molecular Processing Made Easy. (by datamol-io)
Python molecule rdkit drug-discovery drug-design molecules cheminformatics medicinal-chemistry
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docs.datamol.io
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rmsd datamol
1 1
465 427
- 1.9%
4.9 9.0
3 months ago 3 months ago
Python Python
BSD 2-clause "Simplified" License Apache License 2.0
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rmsd

Posts with mentions or reviews of rmsd. We have used some of these posts to build our list of alternatives and similar projects.

datamol

Posts with mentions or reviews of datamol. We have used some of these posts to build our list of alternatives and similar projects.

What are some alternatives?

When comparing rmsd and datamol you can also consider the following projects:

directory-structure - :package: Print a directory tree structure in your Python code.

DiffLinker - DiffLinker: Equivariant 3D-Conditional Diffusion Model for Molecular Linker Design

ScaffoldGraph - ScaffoldGraph is an open-source cheminformatics library, built using RDKit and NetworkX, for the generation and analysis of scaffold networks and scaffold trees.

PubChemPy - Python wrapper for the PubChem PUG REST API.

rmsd vs directory-structure datamol vs DiffLinker datamol vs ScaffoldGraph datamol vs PubChemPy