| Name | Version | Summary | date |
|---|---|---|---|
| covdrugsim | 1.0.22 | Package to automate quantum mechanical calculations and molecular dynamics simulations of covalent drugs. | 2025-07-29 02:04:35 |
| COBY | 1.0.7 | Build coarse-grained molecular systems | 2025-07-25 11:18:41 |
| farscore | 1.0.0 | FARScore: A Synthetic Accseeibility Predictor based Fragment Assembly autoRegressive pretrain | 2025-07-24 09:40:37 |
| poli-core | 1.2.0 | poli, a library of discrete objective functions | 2025-02-10 08:43:40 |
| ramannoodle | 0.5.0 | Calculate Raman spectra from first-principles calculations. | 2024-10-04 01:12:00 |
| hour | day | week | total |
|---|---|---|---|
| 86 | 1647 | 10449 | 305774 |