pauca / RRDKit
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
- β28Updated 2 years ago
- π Molecular informatics toolkit with integration of bioinformatics and cheminformatics tools for drug discoveryβ37Updated 6 months ago
- 𧬠Toolkit for generating various numerical features of protein sequencesβ52Updated 6 months ago
- Model-based Analysis of Protein Degradabilityβ10Updated 3 years ago
- Cheminformatics Toolkit for Rβ15Updated last week
- Integrating R and the CDKβ43Updated last year
- Analysis platform for large-scale dose-dependent dataβ25Updated last week
- These workshops and tutorials provide use cases and examples for mass spectrometry data handling and analysis using the Spectra Bioconducβ¦β20Updated 8 months ago
- β10Updated last year
- R Interface to the ClassyFire REST APIβ10Updated last month
- An R package to calculate indices and theoretical physicochemical properties of peptides and protein sequences.β84Updated last year
- β15Updated last year
- The MetaRbolomics book. A review of R packages in BioC, CRAN, gitlab and github.β33Updated 4 years ago
- R interface to Chemical Translation Service (CTS)β14Updated 8 months ago
- The pmartR R package provides functionality for quality control, normalization, exploratory data analysis, and statistical analysis of maβ¦β41Updated this week
- chemmodlab: A Cheminformatics Modeling Laboratory for Fitting and Assessing Machine Learning Modelsβ16Updated last year
- Pipeline for assessing the tractability of potential targets (starting from Gene IDs)β23Updated 2 months ago
- R package for MetFragβ24Updated 7 years ago
- β16Updated 5 years ago
- β13Updated 7 years ago
- An R package framework for accessing biological and chemical databases and developing or extending new connectors.β11Updated 2 years ago
- Metabolomics software for database-assisted deconvolution of MS/MS spectraβ18Updated last year
- LipidFinder: A computational workflow for discovery of new lipid molecular speciesβ19Updated 4 years ago
- generating various molecular representations for chemicals, proteins, DNAs/RNAs and their interactions.β16Updated 5 years ago
- Shortcode to embed proteins and trajectories with Mol*β44Updated 11 months ago
- 𧬠An R package for visualizing molecular data in 3Dβ90Updated last year
- Shiny UI for the NGLVieweR packageβ11Updated 4 months ago
- OpenBabel wrapper package for Rβ10Updated 8 months ago
- This repository contains the installation zip file, user manual, example data, and source code for the PyXlinkViewer plugin for PyMOL v2β10Updated last year
- data processing for MS-based metabolomicsβ15Updated 5 months ago