Hybrid Uncertainty Quantification for Bioactivity Assessment
Task Hardness Estimation for Molecular Activity Predcition (THEMAP)
QSAR Bioactivity Predictor is a Python application that allows users to create QSAR models to predict bioactivity for a specific target.
Reproducible ChEMBL bioactivity warehouse for ADC-payload chemistry. dbt medallion, Dagster orchestration, RDKit structural SAR (analogs, series, activity cliffs), on DuckDB / Snowflake.
BioETL is a data processing framework for acquiring, normalizing, and validating bioactivity-related datasets from multiple external sources.
Modular cheminformatics ML pipeline for target-specific bioactivity prediction using ChEMBL data.
Modular orchestrator for peptide-bioactivity prediction tools (10 of 26 integrated, 7 bioactivity categories).
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