| 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. |
| DrrDom/crem |
152 |
|
3 |
3 |
almost 3 years ago |
17 |
August 27, 2025 |
5 |
bsd-3-clause |
Jupyter Notebook |
| CReM: chemically reasonable mutations framework |
| czodrowskilab/VSFlow |
58 |
|
0 |
0 |
over 2 years ago |
0 |
|
3 |
mit |
Python |
| lvpp/sigma |
52 |
|
0 |
0 |
over 2 years ago |
0 |
|
6 |
mit |
Python |
| LVPP sigma-profile database + COSMO-SAC parametrizations |
| niclasko/Cypher.js |
49 |
|
0 |
0 |
over 2 years ago |
0 |
|
1 |
gpl-3.0 |
JavaScript |
| Cypher graph database for Javascript |
| MobleyLab/GuthrieSolv |
29 |
|
0 |
0 |
about 4 years ago |
0 |
|
5 |
cc-by-4.0 |
Python |
| Experimental small molecule hydration free energy dataset |
| lukasturcani/stk-vis |
23 |
|
0 |
0 |
about 4 years ago |
0 |
|
23 |
mit |
PureScript |
| A cross-platform application for visualization of molecular databases. |
| stone-payments/ansible-mongodb |
23 |
|
0 |
0 |
over 2 years ago |
0 |
|
6 |
mit |
Python |
| :green_book: Ansible role to setup a MongoDB with replica set support |
| openforcefield/cmiles |
17 |
|
0 |
0 |
almost 5 years ago |
2 |
November 24, 2020 |
20 |
other |
Jupyter Notebook |
| Generate canonical molecule identifiers for quantum chemistry database |
| UnixJunkie/ACPC |
16 |
|
0 |
0 |
over 3 years ago |
0 |
|
8 |
other |
OCaml |
| Chemoinformatics tool for ligand-based virtual screening |
