| Name | Version | Summary | date |
| ChemistryPaperParser |
0.1.1 |
Parsing HTML chemistry papers from certain publishers into plain text |
2024-06-15 23:25:08 |
| chemprop |
2.0.2 |
Molecular Property Prediction with Message Passing Neural Networks |
2024-06-14 22:03:58 |
| codechembook |
0.1.0 |
Companion package to 'Coding for Chemists' containing helpful functions for common tasks. |
2024-06-12 00:21:46 |
| molharbor |
0.1.0 |
unofficial python wrapper for MolPort API |
2024-06-10 19:30:38 |
| shakenbreak |
3.3.5 |
Package to generate and analyse distorted defect structures, in order to identify ground-state and metastable defect configurations. |
2024-06-06 14:44:46 |
| chemicalspace |
0.1.1 |
An Object-oriented Representation for Chemical Spaces |
2024-06-03 15:04:46 |
| pymatviz |
0.8.3 |
A toolkit for visualizations in materials informatics |
2024-05-30 17:21:24 |
| khipu-metabolomics |
2.0.1 |
Common utilities for interpreting mass spectrometry data |
2024-05-29 21:24:32 |
| Project-ppchem-tools-kit |
1.1.0 |
Basic Chemistry Toolkit |
2024-05-27 09:23:43 |
| chemfunc |
1.0.7 |
Chem Func |
2024-05-26 21:27:24 |
| pyqn |
1.4.1 |
A package for managing physical units and quantities |
2024-05-19 18:17:42 |
| amethyst-rdkit |
1.0 |
An analogue generator. |
2024-05-18 17:17:45 |
| 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 |
| 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 |