stk
by lukasturcani
A Python library which allows construction and manipulation of complex molecules, as well as automatic molecular design and the creation of molecular databases.
AI summary
Molecule library
A Python library for designing and manipulating molecules, including automatic design and creation of databases.
- stars
- 252
- forks
- 47
- watching
- 11
- awesome list
- 1
Similar projects
Found by comparing what the projects do, not just their names.
Molecular Graph Library
A Python library that provides a robust representation of semantically constrained graphs, specifically for molecules in chemistry.
Molecule library
A Python library for manipulating molecules
Molecular simulation analysis library
A Python library providing tools for analyzing data from molecular dynamics simulations
Molecule generator
Automates molecule design and drug discovery using machine learning models
qmlcode/qml199
Molecule representation library
A toolkit for representing and learning properties of molecules and solids using quantum machine learning concepts
Molecule toolset
A molecule manipulation library for drug discovery and molecular modeling
Chemistry converter
A Python library for reading, writing, and converting various computational chemistry file formats.
Molecular calculator
A Python package for calculating molecular features.
Molecule Representation
A Python project that uses machine learning to improve the representation of molecules in drug discovery
cdk/cdk501
Chemistry library
A Java library for cheminformatics and bioinformatics, providing data structures, algorithms, and tools for analyzing molecules and reactions.
Molecular calculator
Calculates molecular properties from chemical formulas
Chemistry book
A comprehensive textbook and teaching resource on programming in Python with applications to chemistry
Molecular data processor
Enables machine learning on three-dimensional molecular structure by providing tools and datasets for working with 3D molecular data
Molecular data processor
A wrapper around RDKit for generating and manipulating molecular structures and their related data.
Chem calculator
A comprehensive Python package for chemistry calculations and properties
Featured in 1 awesome list
Each link jumps to the spot where the list mentions stk.
