cctk
Chemistry Analysis Toolkit
A Python-based toolkit for automating computational chemistry tasks and data analysis from quantum chemistry software output files
Python-based library for working with computational chemistry files
13 stars
2 watching
3 forks
Language: Python
last commit: 6 months ago Related projects:
Repository | Description | Stars |
---|---|---|
| A Python library for parsing and analyzing output files from computational chemistry packages | 339 |
| A toolkit for explorative spectroscopy using Python and pandas. | 94 |
| A comprehensive toolkit for chemistry and molecule analysis, including search engines, visualization tools, and data manipulation utilities. | 318 |
| A comprehensive toolkit for cheminformatics and molecular modeling tasks | 424 |
| A collection of machine learning methods and tools for materials science and quantum chemistry. | 929 |
| A Java library for cheminformatics and bioinformatics, providing data structures, algorithms, and tools for analyzing molecules and reactions. | 501 |
| An interactive quantum chemistry framework combining Psi4 and Numpy for education and development | 351 |
| An object-oriented Python package for analyzing complex networks and time series data | 201 |
| A website and toolset for image analysis and machine learning, providing resources and documentation. | 57 |
| A Python package for working with geochemical data and creating visualizations. | 137 |
| A Python-based collection of tools for gathering forensic information from Office documents | 26 |
| A toolset for modeling and analyzing the extractable value of mining operations using Python. | 125 |
| A collection of Python tools for analyzing borehole images and assessing reservoir geomechanics. | 58 |
| A Python library offering natural language processing capabilities for pre-modern languages | 843 |
| A Python library providing numerical tools for studying quantum information objects | 157 |