pauca / RRDKitLinks
A pragmatic interface to RDKit in R
β25Updated 5 years ago
Alternatives and similar repositories for RRDKit
Users that are interested in RRDKit are comparing it to the libraries listed below
Sorting:
- β28Updated 3 years ago
- π Molecular informatics toolkit with integration of bioinformatics and cheminformatics tools for drug discoveryβ37Updated 8 months ago
- 𧬠Toolkit for generating various numerical features of protein sequencesβ52Updated 8 months ago
- Integrating R and the CDKβ43Updated last year
- Cheminformatics Toolkit for Rβ16Updated 2 weeks ago
- Various Cheminformatic, Curation and Mass Spectrometry Functionsβ14Updated 4 years ago
- Model-based Analysis of Protein Degradabilityβ10Updated 3 years ago
- These workshops and tutorials provide use cases and examples for mass spectrometry data handling and analysis using the Spectra Bioconducβ¦β21Updated 9 months ago
- chemmodlab: A Cheminformatics Modeling Laboratory for Fitting and Assessing Machine Learning Modelsβ17Updated 2 years ago
- β13Updated 7 years ago
- Create .mzML files through the R Consoleβ11Updated 3 years ago
- The MetaRbolomics book. A review of R packages in BioC, CRAN, gitlab and github.β33Updated 4 years ago
- An R package to calculate indices and theoretical physicochemical properties of peptides and protein sequences.β87Updated last year
- An R package framework for accessing biological and chemical databases and developing or extending new connectors.β11Updated 2 years ago
- β14Updated last year
- Chemical Similarity Enrichment analysis of metabolomics datasetsβ29Updated 10 months ago
- The pmartR R package provides functionality for quality control, normalization, exploratory data analysis, and statistical analysis of maβ¦β42Updated 3 weeks ago
- generating various molecular representations for chemicals, proteins, DNAs/RNAs and their interactions.β16Updated 5 years ago
- Metabolomics software for database-assisted deconvolution of MS/MS spectraβ18Updated last year
- β10Updated 6 years ago
- Metabolome Annotation Workflowβ25Updated last year
- R package for MetFragβ24Updated 7 years ago
- Shortcode to embed proteins and trajectories with Mol*β47Updated last year
- Workflow solutions for mass-spectrometry based non-target analysis.β65Updated this week
- R Interface to the ClassyFire REST APIβ11Updated 3 months ago
- Missing value imputation and evaluation, especially for metabolomics data setsβ18Updated 6 years ago
- R interface to Chemical Translation Service (CTS)β14Updated 10 months ago
- US EPA's Toxicity Forecaster (ToxCast) Pipeline. More information on the ToxCast program available here: https://www.epa.gov/comptox-toolβ¦β36Updated 3 weeks ago
- R-based access to Mass-Spectrometry dataβ24Updated 5 months ago
- β10Updated last year