| Name | Version | Summary | date |
| mofdb-client |
0.10.0 |
Simple client for fetching data from mofdb |
2023-04-10 01:11:35 |
| nonebot-plugin-molar-mass |
0.2.3 |
A tool to calculate molar mass for middle school students. |
2023-03-19 03:38:03 |
| pdb2pqr |
3.6.1 |
Automates many of the common tasks of preparing structures for continuum solvation calculations as well as many other types of biomolecular structure modeling, analysis, and simulation. |
2023-03-12 21:05:49 |
| thermostate |
1.4.0 |
A package to manage thermodynamic states |
2023-02-12 01:13:53 |
| molextract |
1.0.0 |
Parse Molcas/OpenMolcas log files in a modular way |
2023-02-11 18:28:29 |
| kimya |
0.0.4 |
A Simple-to-Use Module About Science. |
2023-01-28 12:54:22 |
| ANIAnimator |
0.2.2 |
ANIAnimator makes the GIF file from a given chemical ANI file |
2023-01-27 21:55:04 |
| periodic2023 |
2.2.1 |
A periodic table API. |
2023-01-25 12:33:26 |
| wikidataintegrator |
0.9.27 |
Python package for reading and writing to/from Wikidata |
2023-01-19 21:53:58 |
| moffragmentor |
0.0.6 |
Splits MOFs into metal nodes and linkers. |
2022-12-24 08:40:35 |
| element-coder |
0.0.8 |
Encode chemical elements numerically and decode numerical representations of elements. |
2022-12-19 08:15:48 |
| pyvaporation |
1.2.0 |
Set of tools for modelling pervaporation processes |
2022-12-06 11:33:26 |
| summit |
0.8.8 |
Tools for optimizing chemical processes |
2022-12-02 19:48:22 |
| palmiche |
0.0.0a4 |
A python package for automation of MD simulations |
2022-12-01 12:36:37 |
| global-chem-extensions |
1.0.3 |
|
2022-09-03 14:35:44 |
| Auto-FOX |
0.10.2 |
A library for analyzing potential energy surfaces (PESs) and using the resulting PES descriptors for constructing forcefield parameters. |
2022-08-31 15:32:15 |
| PubChemPy |
1.0.4 |
A simple Python wrapper around the PubChem PUG REST API. |
2017-04-11 18:36:23 |