| Name | Version | Summary | date |
| cando-py |
2.3.4 |
CANDO is a unique computational drug discovery, design, and repurposing platform. |
2025-07-25 20:42:01 |
| promptsmiles |
1.7 |
A conveniant package to manipulate SMILES strings for iterative prompting with chemical language models. |
2025-03-20 13:35:55 |
| ringtail |
2.1.1 |
Package for creating database from virtual screening files and performing filtering on results. |
2024-12-12 18:13:35 |
| meeko |
0.6.1 |
Python package for preparing small molecule for docking |
2024-11-18 23:19:07 |
| cosolvkit |
0.5.0 |
CosolvKit |
2024-07-15 21:01:20 |
| admet-ai |
1.3.1 |
admet_ai |
2024-07-13 08:44:06 |
| synthemol |
1.0.4 |
synthemol |
2024-06-23 10:50:37 |
| SMILES-RNN |
2.0.1 |
A scoring, benchmarking and evaluation framework for goal directed generative models |
2024-06-05 15:31:11 |