cambDI / camb
☆13Updated 7 years ago
Alternatives and similar repositories for camb:
Users that are interested in camb are comparing it to the libraries listed below
- Integrating R and the CDK☆42Updated last year
- 💊 Molecular informatics toolkit with integration of bioinformatics and cheminformatics tools for drug discovery☆37Updated 6 months ago
- Standardization workflow for QSAR-ready chemical structures pre-treatment. See "release" tab for the latest version and sample files!☆21Updated 5 months ago
- chemmodlab: A Cheminformatics Modeling Laboratory for Fitting and Assessing Machine Learning Models☆15Updated last year
- Repository for storing code related to the paper by Zdrazil B., Richter L., Brown N., and Guha R. "Moving Targets: Monitoring Target Tren…☆9Updated 4 years ago
- An R package framework for accessing biological and chemical databases and developing or extending new connectors.☆11Updated 2 years ago
- Code available for the quantitative pharmacophores☆11Updated 2 years ago
- R Interface to the ClassyFire REST API☆10Updated last month
- A pragmatic interface to RDKit in R☆25Updated 5 years ago
- Cheminformatics Toolkit for R☆15Updated 6 months ago
- Virtual machine with all software and sample data to run 3D-e-Chem Knime workflows☆16Updated 6 years ago
- Houses deployable code for the SCORCH scoring function and docking pipeline from the related publication: https://doi.org/10.1016/j.jare.…☆17Updated 2 years ago
- Tutorial on the usage of Rdkit, Pandas, sklearn, machine learning, descriptor calculation, etc.. in the context of bioactivity predictive…☆14Updated 10 years ago
- OpenBabel wrapper package for R☆10Updated 7 months ago
- ☆10Updated 5 years ago
- Various Cheminformatic, Curation and Mass Spectrometry Functions☆13Updated 4 years ago
- Applications using AMBIT and examples how to call AMBIT modules☆16Updated 3 years ago
- ☆13Updated last year
- US EPA's Toxicity Reference Database (ToxRefDB)☆21Updated last year
- Computational Analysis of Novel Drug Opportunities☆36Updated last month
- Link molecular structures of chemicals (in form of topological fingerprints) with multiple targets☆9Updated 3 months ago
- Gromacs molecular dynamics simulation analysis scripts☆10Updated 2 years ago
- Tutorials and examples for nicer animations (movies) and images in PyMOL.☆21Updated 10 years ago
- ☆16Updated 2 years ago
- Source code of the ChEMBL web services.☆16Updated 6 years ago
- ☆32Updated 4 years ago
- Intrinsic Peak Analysis (IPA) pipeline for peak-picking in large-scale untargeted small molecule analysis including metabolomics, lipidom…☆13Updated last year
- AstraZeneca add-ons to Orange.☆21Updated 4 years ago
- Modeling framework for eTRANSAFE project☆12Updated last year
- Prediction IncluDinG INactives (**OLD VERSION**) NEW VERSION: https://github.com/lhm30/PIDGINv2)☆13Updated 7 years ago