Table 2 We have tested LigGrep on various operating systems, using various versions of Python 3, RDKit, NumPy, SciPy, and Open Babel
From: LigGrep: a tool for filtering docked poses to improve virtual-screening hit rates
Operating system | Python | RDKit | NumPy | SciPy | Open babel | Multiprocessing |
|---|---|---|---|---|---|---|
macOS Mojave 10.14.5 | 3.6.7 | 2019.03.3 | 1.17.4 | 1.3.1 | 2.4.1 | Y |
Ubuntu 18.04.4 LTS | 3.6.5 | 2019.03.1 | 1.16.3 | 1.3.0 | 3.1.0 | Y |
Ubuntu 18.04.2 LTS | 3.7.3 | 2020.03.3 | 1.18.1 | 1.4.1 | 2.3.2 | Y |
Windows 10 Home 1903 | 3.7.4 | 2020.03.2 | 1.16.5 | 1.3.1 | 2.3.1 | N |