| Name | Version | Summary | date |
| mehc-curation |
1.0.5 |
A comprehensive toolkit for molecular data curation, validation, cleaning, and normalization |
2025-11-14 06:49:39 |
| chem-mrl |
0.8.0 |
SMILES-based Matryoshka Representation Learning Embedding Model |
2025-10-27 07:40:44 |
| ChemInformant |
2.4.2 |
A robust and high-throughput Python client for the PubChem API, designed for automated data retrieval and analysis |
2025-09-10 06:25:23 |
| synfrag |
1.0.0 |
SynFrag: A Synthetic Accessibility Predictor based Fragment Assembly autoRegressive pretrain |
2025-09-01 14:40:38 |
| emc-pypi |
2025.8.21 |
Python interface for the Enhanced Monte Carlo (EMC) package |
2025-08-21 18:31:58 |
| farscore |
1.0.0 |
FARScore: A Synthetic Accseeibility Predictor based Fragment Assembly autoRegressive pretrain |
2025-07-24 09:40:37 |
| molactivity |
3.0 |
Molecular activity prediction using transformer neural networks with 5 operational modes |
2025-07-08 10:37:02 |
| smizip |
2.0.1 |
An implementation of Roger Sayle's SmiZip algorithm for compressing short strings |
2025-02-01 16:43:40 |
| 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 |
| 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 |