Compound Discoverer

xcms preprocesses LC-MS and GC-MS data in Bioconductor workflows. Use it for peak detection, retention-time alignment, feature grouping, and gap-filling when you need reproducible feature-by-sample in

2 shared topics • 1 shared operation

Use when working with GuacaMol — the benchmarking suite for de novo molecular generation — to evaluate generative models for drug-like molecules. Assesses distribution-learning (17 benchmarks: validit

1 shared topic • 2 shared operations

Use when performing GWAS fine-mapping with PAINTOR (Probabilistic Annotation INTegratOR). Computes posterior inclusion probabilities (PIPs) for causal variants by integrating summary statistics (Z-sco

1 shared topic • 2 shared operations

Use when working with PolyFun — functionally-informed polygenic fine-mapping from GWAS summary statistics. Computes per-SNP heritability priors using S-LDSC with functional annotations, then runs SuSi

1 shared topic • 2 shared operations

vt — C++ command-line variant tool set for manipulating VCF files. Provides variant normalization (left-alignment and trimming), multiallelic decomposition, VCF summary statistics (peek), annotation,

1 shared topic • 2 shared operations