openphacts / OPS-Knime
Project for integration of OPS and the Knime workflow engine
☆14Updated 9 years ago
Alternatives and similar repositories for OPS-Knime:
Users that are interested in OPS-Knime are comparing it to the libraries listed below
- Virtual machine with all software and sample data to run 3D-e-Chem Knime workflows☆16Updated 6 years ago
- fragbuilder is a tool to create, setup and analyze QM calculations on peptides.☆14Updated 10 years ago
- Code available for the quantitative pharmacophores☆11Updated 2 years ago
- ☆9Updated 5 years ago
- Binding Affinity Prediction using Deep learning models☆11Updated 3 years ago
- ☆10Updated last year
- Compare molecular structures after energy minimization in various force fields.☆9Updated 4 years ago
- 🔍 Fit3D - An application for template-based detection of small structural motifs in protein structures and macromolecular structure data…☆11Updated 6 years ago
- AstraZeneca add-ons to Orange.☆22Updated 4 years ago
- Automated omics-scale protein modeling and simulation setup.☆52Updated 3 years ago
- Modeling Tanimoto distributions for RDKit☆16Updated 4 years ago
- Data visualizations for biomolecular dynamics☆18Updated 6 years ago
- ☆16Updated 5 years ago
- A python library for prediction of drug metabolites☆14Updated 6 years ago
- ☆13Updated 2 years ago
- PyMOL Plugin for displaying polar contacts☆16Updated 5 years ago
- Standardization workflow for QSAR-ready chemical structures pre-treatment. See "release" tab for the latest version and sample files!☆21Updated 3 months ago
- Computational Analysis of Novel Drug Opportunities☆35Updated 2 weeks ago
- See http://dx.doi.org/10.1039/C7SC04156J for more details☆11Updated last year
- Python Modeling Interface☆12Updated 3 weeks ago
- Matrix factorization and deep learning for molecular property prediction☆12Updated 5 years ago
- Target prediction☆12Updated 4 years ago
- RDKit code for the JCIM article☆16Updated 11 years ago
- ☆15Updated 5 years ago
- Use UCSF Chimera Python API in a standard interpreter☆58Updated 5 years ago
- A collection of molecular modelling tools for UCSF Chimera☆17Updated 5 years ago
- Explain a SMARTS using SmartsView (K. Schomburg and M. Rarey)☆12Updated 3 years ago
- Python package for virtual screening of generated molecules using autodock-vina and tensorflow☆14Updated 3 years ago
- Virtual screening and cheminformatics utilities☆14Updated 9 years ago
- docking visualization with py3dmol and streamlit