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wolberlab / OpenMMDL Public

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[WIP] Addition of MDAnalysis RDKit converter#87

Open

talagayev wants to merge 10 commits intowolberlab:openmmdl-1.1.0wolberlab/OpenMMDL:openmmdl-1.1.0from

talagayev:RDKit_Convertertalagayev/OpenMMDL:RDKit_ConverterCopy head branch name to clipboard

Conversation Commits10 (10)Checks Files changed

Open

[WIP] Addition of MDAnalysis RDKit converter#87
talagayev wants to merge 10 commits intowolberlab:openmmdl-1.1.0from
talagayev:RDKit_Converter

Commits

Commits on Jun 8, 2024

Update rdkit_figure_generation.py
talagayev
authored
Update rdkit_figure_generation.py
talagayev
authored
Update openmmdlanalysis.py
talagayev
authored
Update openmmdlanalysis.py
talagayev
authored
Update openmmdlanalysis.py
talagayev
authored
Update preprocessing.py
talagayev
authored
Update openmmdlanalysis.py
talagayev
authored
Update preprocessing.py
talagayev
authored

Commits on Apr 10, 2025

Merge branch 'wolberlab:main' into RDKit_Converter
talagayev
authored
Update CHANGELOG.md
talagayev
authored

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