cambDI / cambLinks
β13Updated 7 years ago
Alternatives and similar repositories for camb
Users that are interested in camb are comparing it to the libraries listed below
Sorting:
- π Molecular informatics toolkit with integration of bioinformatics and cheminformatics tools for drug discoveryβ37Updated 9 months ago
- An Neural Networks based QSAR Model and a Connector to SSDβ9Updated 7 years ago
- A pragmatic interface to RDKit in Rβ25Updated 5 years ago
- chemmodlab: A Cheminformatics Modeling Laboratory for Fitting and Assessing Machine Learning Modelsβ17Updated 2 years ago
- Cheminformatics Toolkit for Rβ16Updated last month
- An R package framework for accessing biological and chemical databases and developing or extending new connectors.β11Updated 2 years ago
- Repository for storing code related to the paper by Zdrazil B., Richter L., Brown N., and Guha R. "Moving Targets: Monitoring Target Trenβ¦β9Updated 4 years ago
- Standardization workflow for QSAR-ready chemical structures pre-treatment. See "release" tab for the latest version and sample files!β21Updated 8 months ago
- Integrating R and the CDKβ43Updated last year
- β10Updated 6 years ago
- Various Cheminformatic, Curation and Mass Spectrometry Functionsβ14Updated 4 years ago
- Link molecular structures of chemicals (in form of topological fingerprints) with multiple targetsβ10Updated 6 months ago
- R Interface to the ClassyFire REST APIβ11Updated 4 months ago
- Code available for the quantitative pharmacophoresβ12Updated 2 years ago
- Playground for experiments on the official http://bioconductor.org/packages/devel/bioc/html/RMassBank.htmlβ13Updated 8 months ago
- Houses deployable code for the SCORCH scoring function and docking pipeline from the related publication: https://doi.org/10.1016/j.jare.β¦β17Updated 2 years ago
- Tutorial on the usage of Rdkit, Pandas, sklearn, machine learning, descriptor calculation, etc.. in the context of bioactivity predictiveβ¦β14Updated 10 years ago
- β12Updated 6 months ago
- Modeling Tanimoto distributions for RDKitβ17Updated 5 years ago
- β31Updated 2 months ago
- β22Updated 3 weeks ago
- A collection of PyMOL plugins to visualize atomic bonds.β22Updated 4 years ago
- Derivation of structural alerts from bioactivity data setsβ30Updated 9 years ago
- PyMOL Plugin for displaying polar contactsβ17Updated 6 years ago
- RDKit code for the JCIM articleβ16Updated 11 years ago
- Gromacs molecular dynamics simulation analysis scriptsβ10Updated 3 years ago
- OpenBabel wrapper package for Rβ11Updated 3 weeks ago
- β13Updated last year
- htmlwidgets for chemdoodle web componentsβ18Updated 4 years ago
- Applications using AMBIT and examples how to call AMBIT modulesβ16Updated 3 years ago