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Results for “qsar”

5 skills
lingxling
molfeat
Convert chemical structures (SMILES or RDKit molecules) into numerical representations for machine learning, covering 100+ featurizers including ECFP, MACCS, descriptors, and pretrained models like ChemBERTa, with support for QSAR modeling and virtual screening.
253 · bundle
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microsoft
azure-kusto
Execute KQL queries and manage Azure Data Explorer resources for fast, scalable big data analytics on log, telemetry, and time series data.
2.7k
k-dense-ai
qutip
Simulate and analyze open quantum systems using QuTiP, including master equations, Lindblad dynamics, decoherence, and quantum optics.
30.2k · bundle
k-dense-ai
bulk-rnaseq
Orchestrates a complete bulk RNA-seq differential-expression study from raw FASTQ reads through QC, alignment, quantification, differential expression, pathway enrichment, and publication figures.
30.2k · bundle
k-dense-ai
molfeat
Convert chemical structures (SMILES or RDKit molecules) into numerical representations for machine learning using 100+ featurizers, including ECFP, MACCS, descriptors, and pretrained models like ChemBERTa.
30.2k · bundle