| Name | Version | Summary | date |
| pyambit |
0.0.1 |
Python implementation of AMBIT data model |
2024-11-14 10:31:04 |
| chemicals |
1.3.1 |
Chemical properties component of Chemical Engineering Design Library (ChEDL) |
2024-11-10 23:43:35 |
| thermo |
0.4.0 |
Chemical properties component of Chemical Engineering Design Library (ChEDL) |
2024-11-10 23:39:33 |
| deepmol |
1.1.6 |
DeepMol: a python-based machine and deep learning framework for drug discovery |
2024-11-09 18:34:20 |
| molgraph |
0.7.8 |
Graph Neural Networks for Molecular Machine Learning |
2024-11-08 12:53:45 |
| Mold2-pywrapper |
0.1.2 |
Python wrapper for Mold2 descriptors |
2024-11-06 07:24:01 |
| pyobo |
0.11.1 |
A python package for handling and generating OBO |
2024-11-05 08:04:07 |
| papyrus-scripts |
2.1.1 |
A collection of scripts to handle the Papyrus bioactivity dataset |
2024-11-04 18:42:36 |
| scikit-fingerprints |
1.11.0 |
Library for effective molecular fingerprints calculation |
2024-11-04 11:24:18 |
| 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 |
| solphedge |
0.0.1.post2 |
pH-dependent solubility predictions for small molecules |
2024-08-29 21:50:33 |
| molcomplex |
1.0.3 |
Molecular Complexity Calculations |
2024-07-20 06:23:58 |
| nonadditivity |
2.0.0 |
A program to find key complex patterns in SAR data |
2024-07-14 22:27:37 |