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update README.md
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@Strandgaard96
Strandgaard96 committed Jun 18, 2024
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Expand Up @@ -50,7 +50,7 @@ A list of possible arguments and their discriptions are seen below:
| `--sa_screening` | Decides if synthetic accessibility score is enabled. Highly recommended to turn this on. |
| `--filename` | Path to the database extract to create starting population. |
| `--output_dir` | Sets output directory for all files generated during generations. |
| `--scratch` | Path to the database extract to create starting population. |
| `--scratch` | Path to put any intermediate scratch files |
| `--cleanup` | If enabled, all scoring files are removed after scoring. Only the optimized structures and their energies are saved. |
| `--method` | Which gfn method to use. |
| `--timeout_min` | How many minutes each slurm job is allowed to run |
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