rdkit

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

Package versions

42 VERSIONS IN TOTAL
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2026.3.15 Apr, 2026
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2025.9.62 Mar, 2026
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2025.9.516 Feb, 2026
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2025.9.431 Jan, 2026
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2025.9.33 Dec, 2025
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2025.9.21 Dec, 2025
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2025.9.16 Oct, 2025
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2025.3.65 Sep, 2025
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2025.3.51 Aug, 2025
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2025.3.431 Jul, 2025
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2025.3.312 Jun, 2025
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2025.3.213 May, 2025
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2025.3.19 May, 2025
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2024.9.612 Mar, 2025
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2024.9.55 Feb, 2025
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2024.9.47 Jan, 2025
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2024.9.35 Jan, 2025
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2024.9.25 Jan, 2025
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2024.9.129 Dec, 2024
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2024.3.67 Nov, 2024
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