openphacts / OPS-KnimeLinks
Project for integration of OPS and the Knime workflow engine
☆14Updated 10 years ago
Alternatives and similar repositories for OPS-Knime
Users that are interested in OPS-Knime are comparing it to the libraries listed below
Sorting:
- Virtual machine with all software and sample data to run 3D-e-Chem Knime workflows☆17Updated 7 years ago
- chemmodlab: A Cheminformatics Modeling Laboratory for Fitting and Assessing Machine Learning Models☆17Updated 2 years ago
- Python Modeling Interface☆13Updated last week
- Binding Affinity Prediction using Deep learning models☆12Updated 4 years ago
- Code available for the quantitative pharmacophores☆12Updated 3 years ago
- Target prediction☆12Updated 5 years ago
- AstraZeneca add-ons to Orange.☆22Updated 5 years ago
- 🔍 Fit3D - An application for template-based detection of small structural motifs in protein structures and macromolecular structure data…☆11Updated 6 years ago
- Standardization workflow for QSAR-ready chemical structures pre-treatment. See "release" tab for the latest version and sample files!☆22Updated last year
- Fast, parallelized implementation of Principal Component Analysis with constant memory consumption for large data sets.☆10Updated 3 years ago
- A novel approach to pose selection in protein-ligand docking based on graph theory.☆20Updated 8 years ago
- Protein-Protein Docking using Genetic Algorithm☆18Updated last year
- Compare molecular structures after energy minimization in various force fields.☆10Updated 5 years ago
- ☆17Updated 2 years ago
- ☆13Updated 4 years ago
- Examples for the book 'Data Science in Chemistry', ISBN: 978-3-11-062939-2, Published: 23 Nov 2020☆16Updated 3 years ago
- Prediction of Potential Inhibitors for Targets(From ChEMBL), Based on Tensorflow.☆15Updated 7 years ago
- Matrix factorization and deep learning for molecular property prediction☆13Updated 6 years ago
- Modeling and Bayesian analysis of fluorescence and absorbance assays.☆19Updated 4 years ago
- ☆10Updated 6 years ago
- Computational Analysis of Novel Drug Opportunities☆39Updated 2 weeks ago
- ☆14Updated 2 years ago
- An MPI based parallel implementation of Autodock Vina☆16Updated 5 years ago
- Modeling framework for eTRANSAFE project☆13Updated 2 months ago
- A parallel molecular docking program based on AutoDock Vina☆19Updated last week
- Python package for virtual screening of generated molecules using autodock-vina and tensorflow☆14Updated 4 years ago
- Dock Multiple Ligands with AutoDock Vina with one Command☆11Updated 7 years ago
- PyMOL Plugin for displaying polar contacts☆17Updated 6 years ago
- A collection of molecular modelling tools for UCSF Chimera☆17Updated 6 years ago
- Automated omics-scale protein modeling and simulation setup.☆53Updated 4 years ago