| Name | Version | Summary | date |
| zacrostools |
0.4b0 |
A collective of tools for the preparation of input files for ZACROS |
2024-05-17 20:25:18 |
| xyz-parse |
0.1.2 |
Simple parser for the XYZ file format |
2024-05-17 14:45:19 |
| MASSIVEChem |
3.10 |
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. |
2024-05-17 08:13:45 |
| mendeleev |
0.16.1 |
Pythonic periodic table of elements |
2024-05-13 20:45:48 |
| pybacting |
0.2.13 |
A python wrapper around Bacting |
2024-05-12 10:25:21 |
| chemcoord |
2.1.2 |
Python module for dealing with chemical coordinates. |
2024-05-10 11:40:14 |
| solvation-analysis |
0.4.0 |
A toolkit to analyze solvation structure in molecular dynamics trajectories. |
2024-05-09 23:36:44 |
| molgraph |
0.6.7 |
Graph Neural Networks for Molecular Machine Learning |
2024-05-08 14:41:46 |
| cyc-pep-perm |
0.1.0 |
Python package to predict membrane permeability of cyclic peptides. |
2024-04-24 12:36:33 |
| topsearch |
0.0.3 |
A Python package for topographical analysis of machine learning models and physical systems |
2024-04-24 10:34:46 |
| pymsym |
0.3.3 |
libmsym python binding |
2024-04-24 03:17:15 |
| jms-metabolite-services |
0.5.8 |
conversion, search of metabolic models and metabolomics data |
2024-04-15 19:44:20 |
| zacrosio |
1.0 |
A collective of tools for the preparation of input files for ZACROS |
2024-04-12 14:34:52 |
| molecule-ll |
0.1.2 |
Log likelihood estimation of molecules. |
2024-04-10 11:35:49 |
| deepchem |
2.8.0 |
Deep learning models for drug discovery, quantum chemistry, and the life sciences. |
2024-04-02 02:20:46 |
| MolDes |
0.0.4 |
MolDes python package |
2024-03-26 15:42:49 |
| chemiscope |
0.6.1 |
Helpers to work with the chemiscope interactive structure/property explorer for materials and molecules |
2024-03-21 16:18:37 |
| zahner-potentiostat |
1.1.0 |
Library to control Zahner Potentiostats. |
2023-01-16 07:13:56 |