├── 2022_RDKit_UGM_logistics.pdf ├── How to reach the venue.pdf ├── How_to_reach_the_hackathon_venue.pdf ├── Info └── Agenda.pdf ├── Notebooks ├── Kelley_Gaussian_Process_Chemistry_Kernels.ipynb ├── Landrum_WhatsNew.ipynb ├── Tosco_InteractiveRenderer_and_PandasTools │ ├── InteractiveRenderer.ipynb │ ├── JupyterDrawOptions.json │ ├── New_PandasTools_no_more_performance_issues.ipynb │ ├── Old_PandasTools_performance_issue.ipynb │ └── molsToGrid.pkl └── data │ ├── RGD_sets │ └── data │ │ ├── jm6b00372.sdf │ │ └── jm6b01356.sdf │ ├── dsgdb9nsd_107313.xyz │ └── dsgdb9nsd_127185.xyz ├── Presentations ├── Dalke_MMPDBv3.pdf ├── DiStefano_VENOMPRED.pdf ├── Gowers_Biopolymers.pdf ├── Ha_Cell_Painting_Few_Shot.pdf ├── Jensen_OBoyle_Gabby.pdf ├── Kannas_ReactionKnowledgeGraph.pdf ├── Kelley-GaussianProcesses.pdf ├── Kiener_SlideGenerator.pdf ├── Landrum_StateOfTheToolkit.pdf ├── Mayfield_Fingerprints.pdf ├── Ochoa_pyPept_RDKit_UGM_2022.pdf ├── RafalAdamBachorz-RDKit-UGM-2022-NuclearReceptors.pdf ├── Reid_SARkush.pdf ├── Sayle_Tautomers.pdf ├── Stacey_MMPs_for_CoreDesign.pdf ├── Stahl_Lightning_RDKitAnalytics.pdf ├── Stenta_FederatedChemicalSearch.pdf ├── Tosco_Interactive_rendering_of_2D_structures_with_RDKit.pdf ├── Téletchéa_DockNMine.pdf ├── VonBargen_2DSketcher.pdf ├── Walker_CoordinateGeneration.pdf ├── YaChen_NatProdRingSystems.pdf ├── nealschneider_introducing_registrationhash_lightning.pdf └── pirie_canyouheartheshapeofadrug.pdf └── README.md /2022_RDKit_UGM_logistics.pdf: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/rdkit/UGM_2022/HEAD/2022_RDKit_UGM_logistics.pdf -------------------------------------------------------------------------------- /How to reach the venue.pdf: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/rdkit/UGM_2022/HEAD/How to reach the venue.pdf 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