| Name | Version | Summary | date |
| smilestats |
0.1.0 |
A package to calculate molecule statistics by their smile encoding. |
2024-12-08 12:22:36 |
| global-chem |
1.10.0 |
None |
2024-09-30 04:41:32 |
| SMILES-RNN |
2.0.1 |
A scoring, benchmarking and evaluation framework for goal directed generative models |
2024-06-05 15:31:11 |
| pmd |
1.5.2 |
Automated generation of LAMMPS data and input files for polymer molecular dynamics simulations |
2024-02-22 14:15:04 |
| 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 |
| smilesfeaturizer |
0.1.3 |
A Python package that automatically generates derived variables from a column with SMILES (Simplified Molecular-Input Line-Entry System). |
2023-10-11 09:34:00 |
| molzip |
0.9.1 |
An implementation of compression-based regression and classification for molecular SMILES. |
2023-09-25 20:19:04 |
| smizip |
1.0.1 |
An implementation of Roger Sayle's SmiZip algorithm for compressing short strings |
2023-09-21 16:54:19 |
| pysmiles |
1.1.2 |
A lightweight SMILES reader and writer |
2023-09-19 10:55:09 |
| enumerate-smiles |
0.0.1.post1 |
Enumerate heterocycles, stereoisomers, tautomers and SMILES of molecules. |
2023-09-10 18:16:43 |
| global-chem-extensions |
1.0.3 |
|
2022-09-03 14:35:44 |
| SmilesPE |
0.0.3 |
Tokenize SMILES with substructure units |
2020-04-07 22:12:03 |