| Name | Version | Summary | date |
| smizip |
2.0.1 |
An implementation of Roger Sayle's SmiZip algorithm for compressing short strings |
2025-02-01 16:43:40 |
| deepmol-models |
0.0.5 |
DeepMol Case Studies |
2025-01-23 19:58:43 |
| databuster |
0.2.2 |
A comprehensive chemical compound analysis platform for drug discovery research, developed by Suneel Kumar BVS, Ph.D., ATOMICAS AI SOLUTIONS PRIVATE LIMITED (https://theatomicas.io) |
2025-01-20 10:43:10 |
| thermo |
0.4.1 |
Chemical properties component of Chemical Engineering Design Library (ChEDL) |
2024-12-09 01:50:35 |
| chemicals |
1.3.2 |
Chemical properties component of Chemical Engineering Design Library (ChEDL) |
2024-12-08 19:29:13 |
| smilestats |
0.1.0 |
A package to calculate molecule statistics by their smile encoding. |
2024-12-08 12:22:36 |
| pynanomapper |
2.0.1 |
eNanoMapper API client |
2024-11-26 12:43:00 |
| pyambit |
0.0.1 |
Python implementation of AMBIT data model |
2024-11-14 10:31:04 |
| Mold2-pywrapper |
0.1.2 |
Python wrapper for Mold2 descriptors |
2024-11-06 07:24:01 |
| papyrus-scripts |
2.1.1 |
A collection of scripts to handle the Papyrus bioactivity dataset |
2024-11-04 18:42:36 |
| chem-ant |
0.1.2 |
Select materials to output molecules similar to the target molecule with MCTS Solver and Genetic Programming. |
2024-11-02 11:24:43 |
| robert |
1.2.1 |
Refiner and Optimizer of a Bunch of Existing Regression Tools |
2024-10-31 18:46:35 |
| aqme |
1.7.0 |
Automated Quantum Mechanical Environments |
2024-10-31 16:53:08 |
| schemist |
0.0.1 |
Organizing and processing tables of chemical structures. |
2024-10-12 17:37:09 |
| qsprpred |
3.2.1 |
A cheminformatics package for training and testing QSAR/QSPR models |
2024-10-02 08:59:21 |
| conphar |
0.1.2 |
ConPhar |
2024-09-25 09:07:16 |
| adme-py |
0.1.0 |
Tool to calculate ADME properties in python. |
2024-09-24 01:14:32 |
| uamc-spectrophore |
1.3.0 |
Python implementation of the spectrophore descriptor |
2024-09-19 10:11:23 |
| molcomplex |
1.0.3 |
Molecular Complexity Calculations |
2024-07-20 06:23:58 |
| MicrobeRX |
0.3.2 |
MicrobeRX is A tool for enzymatic reaction-based metabolite prediction in the gut microbiome. |
2024-07-09 12:44:44 |