KNIME Pharmacophore
A plugin for the KNIME workflow system that adds a Pharmacophore data type and nodes to read, write, and align them.
- Workflow technologies
- (Java)
KNIME PLANTS
A node for the KNIME workflow system that allows you to use the PLANTS protein-ligand docking algorithm.
- Workflow technologies
- (Java)
- (Mustache)
KNIME Python node archetype
Want to write your own KNIME node wrapping a Python library. Then use the KNIME Python node archetype to generate a node skeleton repository with sample code
- Big data
- Workflow technologies
- (Java)
- (Python)
KNIME Python wrapper
If you are developing a KNIME node which calls some Python code, then the KNIME Python wrapper can help you.
- Workflow technologies
- (Java)
- (Python)
KNIME Silicos-it nodes
A node for the KNIME workflow systems that allows you to use the Silicos-it software to filter or align molecules.
- Workflow technologies
- (Java)
SyGMa
SyGMa provides fast and lightweight predictions of human metabolites to support discovery scientists design better and safer drugs
- Workflow technologies
- (Python)
3D-e-Chem Virtual Machine
A freely available Virtual Machine encompassing tools, databases, and workflows for cheminformaticians, including new resources developed for ligand binding site comparisons and GPCR research.
- Inter-operability & linked data
- Workflow technologies
- (Shell)
- (Smarty)
Cerise
Cerise is a service for running CWL workflows on HPC resources. You add software, tool descriptions, and connection information, then your user runs workflows whenever they want.
- High performance computing
- Optimized data handling
- Workflow technologies
- ("Common Workflow Language")
- (Dockerfile)
- (Makefile)
- + 2
EC-Earth
A European community Earth-System Model
- Climate change
- Climate modeling
- High performance computing
- + 1
fairworkflows
A python library for constructing, annotating and publishing scientific workflows described using semantic technologies.
- ("Common Workflow Language")
- (HTML)
- (Python)
- + 1
flamingo
Compute and filter molecular properties for quantum dot ligands
- High performance computing
- (Python)
Glotaran
Glotaran: A Java-Based Graphical User Interface for the R Package TIMP
- global analysis
- target analysis
- time-resolved spectroscopy
- (HTML)
- (Java)