Add QoL helpers for building 'closures'#63
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SimonBoothroyd merged 11 commits intomainfrom May 5, 2024
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jthorton
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Mar 20, 2024
| else descent.utils.molecule.unmap_smiles(entry["smiles_b"]) | ||
| ), | ||
| "pred": f"{float(value):.3f} ± {float(std):.3f}", | ||
| "ref": f"{float(entry['value']):.3f}{std_ref}", |
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If entry["std"] is not None this prints the string " ± {float(entry['std']):.3f}"
jthorton
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Mar 20, 2024
descent/targets/thermo.py
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| ) | ||
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| if verbose: | ||
| std_ref = "" if entry["std"] is None else " ± {float(entry['std']):.3f}" |
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| std_ref = "" if entry["std"] is None else " ± {float(entry['std']):.3f}" | |
| std_ref = "" if entry["std"] is None else f" ± {float(entry['std']):.3f}" |
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good catch, should be fixed in the latest commit!
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@jthorton i'm going to split the |
SimonBoothroyd
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