rdkit

A collection of chemoinformatics and machine-learning software written in C++ and Python

Package versions

42 VERSIONS IN TOTAL
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2024.3.57 Aug, 2024
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2024.3.46 Aug, 2024
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2024.3.35 Jul, 2024
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2024.3.25 Jul, 2024
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2024.3.124 Jun, 2024
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2023.9.627 Apr, 2024
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2023.9.514 Feb, 2024
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2023.9.46 Jan, 2024
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2023.9.322 Dec, 2023
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2023.9.225 Nov, 2023
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2023.9.125 Oct, 2023
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2023.3.318 Aug, 2023
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2023.3.225 Jun, 2023
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2023.3.13 May, 2023
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2022.9.526 Feb, 2023
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2022.9.424 Jan, 2023
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2022.9.311 Dec, 2022
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2022.9.225 Nov, 2022
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2022.9.124 Oct, 2022
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2022.3.59 Aug, 2022
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