| Name | Version | Summary | date |
| safe-mol |
0.1.13 |
Implementation of the 'Gotta be SAFE: a new framework for molecular design' paper |
2024-11-27 08:25:46 |
| mofstructure |
0.1.8.2 |
A Python tool to deconstruct MOFs into building units and compute porosity. The code removes guests from MOFs and all porous systems, computes SMILES strings and InChIKeys of all building units. |
2024-11-13 11:58:00 |
| from-smiles-step |
2024.10.31 |
A SEAMM plug-in for creating structures from a SMILES string. |
2024-10-31 13:48:06 |
| schemist |
0.0.1 |
Organizing and processing tables of chemical structures. |
2024-10-12 17:37:09 |
| emc-pypi |
2024.8.1.post1 |
Python interface for the Enhanced Monte Carlo (EMC) package |
2024-07-28 22:42:51 |
| Project-ppchem-tools-kit |
1.1.0 |
Basic Chemistry Toolkit |
2024-05-27 09:23:43 |
| gradio-molecule2d |
0.0.3 |
Input chemical molecules as smiles strings and visualize them |
2024-04-29 14:18:39 |