| Name | Version | Summary | date |
| pymatviz |
0.8.2 |
A toolkit for visualizations in materials informatics |
2024-05-11 16:40:26 |
| chic-lib |
0.1.16 |
Coarse-grainig hybrid and inorganic crystals (CHIC) |
2024-05-10 18:00:49 |
| global-chem |
1.9.4 |
None |
2024-05-09 20:17:23 |
| chemdataextractor2 |
2.3.2 |
A toolkit for extracting chemical information from the scientific literature. |
2024-05-06 15:40:16 |
| aimDIAS |
1.0.1 |
SUPER FAST D/I analysis with aimnet2 |
2024-05-04 10:24:37 |
| pyvalem |
2.6.1 |
A package for managing simple chemical species and states |
2024-05-02 07:59:50 |
| bapt |
1.1.0 |
Band alignment plotting tool |
2024-04-30 09:50:40 |
| khipu-metabolomics |
2.0.0 |
Common utilities for interpreting mass spectrometry data |
2024-04-30 00:39:35 |
| gradio-molecule2d |
0.0.3 |
Input chemical molecules as smiles strings and visualize them |
2024-04-29 14:18:39 |
| chempy |
0.9.0 |
ChemPy is a Python package useful for solving problems in chemistry. |
2024-04-24 16:24:53 |
| chemprop |
2.0.0 |
Molecular Property Prediction with Message Passing Neural Networks |
2024-04-23 17:42:13 |
| chemistry-tools |
1.0.1 |
Python tools for analysis of chemical compounds. |
2024-04-18 14:19:27 |
| modelisation |
0.0.8 |
Modéliser des points expérimentaux |
2024-04-17 10:29:14 |
| FGFinder |
1.0.0 |
A package to identify functional groups in molecules. |
2024-04-12 19:06:27 |
| sumo2 |
0.0.1 |
Heavy weight plotting tools for ab initio solid-state calculations |
2024-04-08 11:00:27 |
| load-atoms |
0.2.14 |
Large Open Access Datasets for Atomistic Materials Science (LOAD-AtoMS) |
2024-04-06 05:04:55 |
| aquasol |
1.6.0 |
Thermodynamic and physico-chemical properties for water and aqueous solutions |
2024-03-19 15:46:43 |
| octadist |
3.1.0 |
OctaDist: A tool for calculating distortion parameters in molecule. |
2024-03-19 13:47:23 |
| kda |
0.3.0 |
Kinetic Diagram Analysis tools |
2024-03-19 02:29:07 |
| gopem |
0.8 |
GOPEM is a graphical user interface of OPEM |
2024-03-17 04:01:14 |