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CPDatSSI Public
Forked from SilentSpringInstitute/CPDatSSIScripts used to find exposure from CPDat database
Python MIT License UpdatedOct 22, 2025 -
CompDESC Public
Scripts to compute ligand molecular descriptors.
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radialtree Public
Forked from koonimaru/radialtreeA python module to draw a circular dendrogram
Python GNU General Public License v3.0 UpdatedNov 10, 2024 -
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chemmaps_data-process Public
Suite of scripts used to mining data for chemmaps
Python UpdatedMar 16, 2023 -
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conformal-prediction Public
Forked from aangelopoulos/conformal-predictionLightweight, useful implementation of conformal prediction on real data.
Jupyter Notebook MIT License UpdatedSep 19, 2022 -
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ToxCastLib Public
Library python to load, parse and work on the ToxCast from the inVitro DB
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StructuralAnalysisE2upP4up Public
Forked from SilentSpringInstitute/StructuralAnalysisE2upP4upPython UpdatedApr 26, 2022 -
cardiotox_hERG Public
Scripts used to process assay results targeting hERG
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breast_tissue_modeling Public
Set of script used to model the breast tissues and its exposition for carcinogen
MIT License UpdatedNov 4, 2021 -
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QSAR-fluoroquinolones Public
Scripts used to model fluoroquinolones compounds from the ChEMBL
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MDQSAR-imatinib Public
Scripts used to build the dataset used for the MD QSAR analysis.
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interferences Public
Sources used to analysis and develop the QSAR model for chemical interference project in the Tox21
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LSRs Public
Computational workflow to mine the PDB for local structural replacements
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