cambDI / camb
β14Updated 7 years ago
Related projects β
Alternatives and complementary repositories for camb
- An R package framework for accessing biological and chemical databases and developing or extending new connectors.β11Updated last year
- π Molecular informatics toolkit with integration of bioinformatics and cheminformatics tools for drug discoveryβ37Updated 2 months ago
- A pragmatic interface to RDKit in Rβ25Updated 5 years ago
- chemmodlab: A Cheminformatics Modeling Laboratory for Fitting and Assessing Machine Learning Modelsβ15Updated last year
- β9Updated 5 years ago
- R Interface to the ClassyFire REST APIβ10Updated last year
- Integrating R and the CDKβ42Updated 8 months ago
- Cheminformatics Toolkit for Rβ13Updated last month
- Code available for the quantitative pharmacophoresβ10Updated 2 years ago
- β28Updated 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 3 years ago
- Various Cheminformatic, Curation and Mass Spectrometry Functionsβ13Updated 3 years ago
- Houses deployable code for the SCORCH scoring function and docking pipeline from the related publication: https://doi.org/10.1016/j.jare.β¦β16Updated last year
- Standardization workflow for QSAR-ready chemical structures pre-treatment. See "release" tab for the latest version and sample files!β21Updated last month
- tools for building qsar modelsβ15Updated 5 years ago
- Computational Analysis of Novel Drug Opportunitiesβ35Updated this week
- RDKit code for the JCIM articleβ16Updated 11 years ago
- β13Updated last year
- Virtual machine with all software and sample data to run 3D-e-Chem Knime workflowsβ16Updated 6 years ago
- Derivation of structural alerts from bioactivity data setsβ29Updated 8 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
- Intrinsic Peak Analysis (IPA) pipeline for peak-picking in large-scale untargeted small molecule analysis including metabolomics, lipidomβ¦β14Updated last year
- β12Updated last year
- A database of In-Silico predicted MS/MS spectrum of Natural Productsβ13Updated 2 years ago
- Tutorials and examples for nicer animations (movies) and images in PyMOL.β20Updated 9 years ago
- β16Updated last year
- Gromacs molecular dynamics simulation analysis scriptsβ10Updated 2 years ago
- An MPI based parallel implementation of Autodock Vinaβ16Updated 4 years ago
- A mirror of official bio3d development site at Bitbucket: https://bitbucket.org/Grantlab/bio3d. See also bio3d website: http://thegrantlβ¦β20Updated last year
- OpenBabel wrapper package for Rβ10Updated 3 months ago