| Quantum-Accelerators/quacc |
253 |
|
0 |
0 |
30 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. |
| lukasturcani/stk |
214 |
|
0 |
4 |
over 2 years 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. |
| ReactionMechanismGenerator/RMG-database |
91 |
|
0 |
0 |
about 2 years ago |
0 |
|
127 |
|
Python |
| The database of chemical parameters used with Reaction Mechanism Generator |
| lukasturcani/stk-vis |
23 |
|
0 |
0 |
about 4 years ago |
0 |
|
23 |
mit |
PureScript |
| A cross-platform application for visualization of molecular databases. |
| peverati/ACCDB |
18 |
|
0 |
0 |
almost 5 years ago |
0 |
|
2 |
gpl-3.0 |
Python |
| A Computational Chemistry DataBase |
| rekumar/labgraph |
18 |
|
0 |
0 |
over 2 years ago |
0 |
|
0 |
|
Python |
| A graph database tool for experimental data in materials science and chemistry. |
| lukasturcani/atomlite |
11 |
|
0 |
0 |
over 2 years ago |
0 |
|
2 |
other |
Python |
| A SQLite chemical database. |
| ceabiodb/biodb |
11 |
|
0 |
0 |
over 3 years ago |
0 |
|
100 |
agpl-3.0 |
R |
| An R package framework for accessing biological and chemical databases and developing or extending new connectors. |
| loriab/qcdb |
10 |
|
0 |
0 |
about 8 years ago |
0 |
|
0 |
lgpl-3.0 |
Python |
| Databases and Interoperability in Quantum Chemistry |
| USNavalResearchLaboratory/nepc |
9 |
|
0 |
0 |
about 4 years ago |
0 |
|
29 |
cc0-1.0 |
Jupyter Notebook |
| NRL Evaluated Plasma Chemistry |
