Project Name | Stars | Downloads | Repos Using This | Packages Using This | Most Recent Commit | Total Releases | Latest Release | Open Issues | License | Language |
---|---|---|---|---|---|---|---|---|---|---|
Stk | 214 | 4 | 5 months ago | 115 | July 28, 2023 | 65 | mit | Python | ||
A Python library which allows construction and manipulation of complex molecules, as well as automatic molecular design and the creation of molecular databases. | ||||||||||
Quacc | 137 | 2 days ago | 27 | December 04, 2023 | 30 | bsd-3-clause | Python | |||
quacc is a flexible platform for computational materials science and quantum chemistry that is built for the big data era. | ||||||||||
Rmg Database | 91 | 3 months ago | 127 | Python | ||||||
The database of chemical parameters used with Reaction Mechanism Generator | ||||||||||
Stk Vis | 23 | 2 years ago | 23 | mit | PureScript | |||||
A cross-platform application for visualization of molecular databases. | ||||||||||
Accdb | 18 | 3 years ago | 2 | gpl-3.0 | Python | |||||
A Computational Chemistry DataBase | ||||||||||
Labgraph | 18 | 8 months ago | Python | |||||||
A graph database tool for experimental data in materials science and chemistry. | ||||||||||
Biodb | 11 | a year ago | 100 | agpl-3.0 | R | |||||
An R package framework for accessing biological and chemical databases and developing or extending new connectors. | ||||||||||
Atomlite | 11 | 6 months ago | 2 | other | Python | |||||
A SQLite chemical database. | ||||||||||
Qcdb | 10 | 6 years ago | lgpl-3.0 | Python | ||||||
Databases and Interoperability in Quantum Chemistry | ||||||||||
Nepc | 9 | 2 years ago | 29 | cc0-1.0 | Jupyter Notebook | |||||
NRL Evaluated Plasma Chemistry |