Table 1.
Computational environments used for Gypsum-DL testing
| Operating system | Python | RDKit | NumPy | SciPy | Mpi4py |
|---|---|---|---|---|---|
| macOS Mojave 10.14.1 | 2.7.13 | 2016.09.2 | 1.11.3 | 0.19.0 | N/A |
| macOS Mojave 10.14.1 | 3.6.3 | 2018.03.4 | 1.13.1 | 0.19.1 | N/A |
| Ubuntu 18.04.1 LTS | 3.7.1 | 2018.03.1 | 1.15.4 | 1.0.0 | N/A |
| Ubuntu 18.04.1 LTS | 3.6.6 | 2018.03.1 | 1.15.4 | 1.0.0 | N/A |
| Ubuntu 18.04.1 LTS | 2.7.1 | 2018.03.1 | 1.15.4 | 1.0.0 | N/A |
| Windows 10 (serial mode) | 3.7.1 | 2018.03.1 | 1.15.4 | 1.0.0 | N/A |
| Windows 10 (serial mode) | 2.7.1 | 2018.03.1 | 1.15.4 | 1.0.0 | N/A |
| Red Hat Enterprise Linux Server 7.3 | 3.5.3 | 2018.03.1 | 1.12.1 | 1.0.0 | N/A |
| Red Hat Enterprise Linux Server 7.3 | 2.7.13 | 2018.03.1 | 1.12.1 | 1.0.0 | 3.0.1 |