| Name | Version | Summary | date |
| MicrobeRX |
0.3.2 |
MicrobeRX is A tool for enzymatic reaction-based metabolite prediction in the gut microbiome. |
2024-07-09 12:44:44 |
| molcomplib |
1.1.2 |
A library for the projection of chemical compounds onto 2D space, mostly for visualization purposes. |
2024-06-25 08:17:11 |
| cpiextract |
0.1.3 |
CPIExtract is a software package to collect and harmonize small molecule and protein interactions. |
2024-06-21 13:17:59 |
| lindemann |
0.10.0 |
lindemann is a python package to calculate the Lindemann index of a lammps trajectory as well as the progression of the Lindemann index per frame of temperature ramps for phase transition analysis. |
2024-06-11 22:43:32 |
| chemicalspace |
0.1.1 |
An Object-oriented Representation for Chemical Spaces |
2024-06-03 15:04:46 |
| MASSIVEChem |
6.0 |
MASSIVEChem is a pip-installable package for analytical chemistry. It simulates molecule mass spectra and graphically displays them. It includes tools like a functional group finder and unsaturation calculator to aid chemical analysis. |
2024-05-29 18:16:59 |
| BlueDesc-pywrapper |
0.0.5.post1 |
Python wrapper for BlueDesc molecular descriptors |
2024-05-17 19:37:10 |
| pybacting |
0.2.13 |
A python wrapper around Bacting |
2024-05-12 10:25:21 |
| chemopy2 |
1.0.5 |
"A Python library calculating molecular descriptors." |
2024-05-10 20:50:16 |
| mlchemad |
1.5.2 |
Applicability domains for cheminformactics. |
2024-04-17 11:46:59 |