ethanbass / chromConverter
Parsers for chromatography data in R (HPLC-DAD/UV, GC-FID, MS)
☆28Updated last week
Related projects ⓘ
Alternatives and complementary repositories for chromConverter
- Shortcode to embed proteins and trajectories with Mol*☆42Updated 6 months ago
- A mirror of official bio3d development site at Bitbucket: https://bitbucket.org/Grantlab/bio3d. See also bio3d website: http://thegrantl…☆20Updated last year
- Integrating R and the CDK☆42Updated 8 months ago
- Metabolome Annotation Workflow☆25Updated 8 months ago
- Compile Mass Spectral Libraries from Various Sources☆16Updated 6 months ago
- R-based access to Mass-Spectrometry data☆22Updated last month
- R Interface to the ClassyFire REST API☆10Updated last year
- Toolset for the reproducible analysis of chromatography data in R (HPLC-DAD/UV, GC-FID).☆14Updated this week
- Various Cheminformatic, Curation and Mass Spectrometry Functions☆13Updated 3 years ago
- Workflow solutions for mass-spectrometry based non-target analysis.☆64Updated this week
- ☆25Updated 11 months ago
- Untargeted metabolomics workflow for data processing and analysis written in Jupyter notebooks (Python)☆18Updated last week
- ☆22Updated last year
- 🧬 An R package for visualizing molecular data in 3D☆89Updated last year
- Cheminformatics Toolkit for R☆13Updated last month
- ☆19Updated last year
- An R package to calculate indices and theoretical physicochemical properties of peptides and protein sequences.☆80Updated 9 months ago
- Metabolomics software for database-assisted deconvolution of MS/MS spectra☆18Updated 9 months ago
- A pragmatic interface to RDKit in R☆25Updated 5 years ago
- * -> TSV☆21Updated last month
- Bottom-up MS/MS interrogation & Experiment-specific global annotation☆29Updated 2 months ago
- ☆14Updated last year
- Playground for experiments on the official http://bioconductor.org/packages/devel/bioc/html/RMassBank.html☆12Updated last month
- Scalable and self-optimizing processing workflow for untargeted LC-MS☆28Updated 3 months ago
- A workflow for metabolite identification and accurate profiling in multidimensional LC-IM-MS-DIA measurements. DOI: 10.5281/zenodo.☆13Updated last year
- RHermes is a semi-targeted metabolomics package to deeply characterize biological and environmental samples.☆25Updated last year
- 💊 Molecular informatics toolkit with integration of bioinformatics and cheminformatics tools for drug discovery☆37Updated 2 months ago
- LipidFinder: A computational workflow for discovery of new lipid molecular species☆19Updated 3 years ago
- An Online Tool for the Real-Time Kinetic Analysis of Binding Events☆12Updated 4 months ago
- Intrinsic Peak Analysis (IPA) pipeline for peak-picking in large-scale untargeted small molecule analysis including metabolomics, lipidom…☆14Updated last year