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Update main branch #18

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merged 81 commits into from
May 15, 2024

added rdkit and wfl dependicies to pyproject.toml; ThermoScreening.ip…

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Update main branch #18

added rdkit and wfl dependicies to pyproject.toml; ThermoScreening.ip…
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Codecov / codecov/patch succeeded May 15, 2024 in 1s

78.62% of diff hit (target 71.96%)

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78.62% of diff hit (target 71.96%)

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