Toolbox for molecular animations in Blender, powered by Geometry Nodes.
Molsystem provides a general class for handling molecular and periodic systems
Periodic table, physical constants, and molecule parsing for quantum chemistry.
Some useful RDKit functions
A Molecular Topography MultiToolkit designed to simplify and streamline the detection, analysis, and characterization of protein pockets, cavities, channels, and binding sites.
pythonic interface to virtual screening software
Official Python client for accessing ChEMBL API
Universal cheminformatics toolkit, utilities and database search tools
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
Dynamic pharmacophore modeling of molecular interactions
📐 Symmetry-corrected RMSD in Python
macromolecular crystallography library and utilities
Source code for molecular graphics program UCSF ChimeraX
A Pharmacophore MultiToolkit designed to simplify and streamline the detection, generation, analysis, comparison, and application of pharmacophore models in drug-design strategies.
ChEMBL database structure pipelines
Web-based molecule sketcher
Molecule Validation and Standardization
Tools (written in C using htslib) for manipulating next-generation sequencing data
An open library to work with pharmacophores.
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