| Name | Version | Summary | date |
| SMILES-RNN |
2.0.1 |
A scoring, benchmarking and evaluation framework for goal directed generative models |
2024-06-05 15:31:11 |
| 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 |
| zahner-potentiostat |
1.1.1 |
Library to control Zahner Potentiostats. |
2024-05-24 05:49:50 |
| chemcoord |
2.1.2 |
Python module for dealing with chemical coordinates. |
2024-05-10 11:40:14 |
| 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 |