| Name | Version | Summary | date |
| cbsyst |
0.4.9 |
Tools for calculating ocean C and B chemistry. |
2024-02-29 18:14:25 |
| carbspec |
0.0.2 |
Tools for calculating pH and Alkalinity from spectrophotometric data. |
2024-02-28 14:31:21 |
| periodic-table-cli |
2.1.1 |
An interactive Periodic Table of Elements app for the console! |
2024-02-25 17:29:15 |
| qiskit-nature-pyscf |
0.4.0 |
Qiskit Nature PySCF: Third-party integration plugin of Qiskit Nature + PySCF. |
2024-02-23 13:38:34 |
| qiskit-nature |
0.7.2 |
Qiskit Nature: A library of quantum computing chemistry/physics experiments |
2024-02-23 10:20:50 |
| PyMassSpec |
2.4.2 |
Python Toolkit for Mass Spectrometry |
2024-02-23 09:27:47 |
| global-chem |
1.8.5.3 |
|
2024-02-22 17:40:56 |
| chemspyd |
1.0.0 |
A Python API for the Chemspeed AutoSuite software. |
2024-02-19 21:06:58 |
| pybaselines |
1.1.0 |
A library of algorithms for the baseline correction of experimental data. |
2024-02-18 20:00:51 |
| MolBokeh |
1.0.1 |
Simple package to display molecules images in bokeh interactive charts. |
2024-02-15 14:42:42 |
| chemical-converters |
0.0.1 |
Chemical-Converters, developed by Knowledgator, showcases our technological capabilities in the chemical domain with entry-level models for a glimpse into potential applications. It's collection of tools for converting one chemical format into another. You can choose any model at HuggingFace trained to do specific convertion and setup your pipeline with the framework. |
2024-02-14 19:22:38 |
| solvation-analysis |
0.3.5 |
A toolkit to analyze solvation structure in molecular dynamics trajectories. |
2024-02-12 22:47:56 |
| ebcc |
1.4.3 |
Coupled cluster calculations on electron-boson systems |
2024-02-12 17:03:46 |
| pymatviz |
0.8.1 |
A toolkit for visualizations in materials informatics |
2024-02-11 17:37:06 |
| moll |
0.1.12 |
|
2024-02-11 16:42:44 |
| molgraph |
0.6.5 |
Graph Neural Networks for Molecular Machine Learning |
2024-02-09 14:18:08 |
| mol2chemfigPy3 |
1.5.9 |
python3 version of mol2chemfig |
2024-02-08 07:00:12 |
| mass2chem |
0.5.0 |
Common utilities for interpreting mass spectrometry data |
2024-02-06 22:59:56 |
| SpectraFP |
1.2.3 |
A package to perform fingerprints from spectroscopy datas. |
2024-02-01 23:30:07 |
| thales-remote |
1.2.4 |
Library to control Zahner Zennium potentiostats |
2024-01-31 15:00:25 |