All software
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 molecule viewer nodes
A 3D viewer for large molecules for the KNIME workflow system.
- Visualization
- Workflow technologies
- Java
- JavaScript
- CSS
KNIME ss-TEA node
A node for the KNIME workflow systems that allows you to identify which residue position in a big protein sequence alignment is specific to ligand binding.
- Workflow technologies
- Java
APE
A CLI, Java API and RESTful API for the automated generation of computational pipelines (scientific workflows) from large collections of computational tools.
- Java
- Program synthesis
- Workflow technologies
- Java
- ANTLR
LinkAhead
Open Source Research Data Management Software
- Data
- ETL
- Inter-operability & linked data
- + 4
- Java
- Shell
- Python
- + 2
MDStudio
A tool to run molecular dynamics workflows.
- High performance computing
- Real time data analysis
- Workflow technologies
- Python
- CSS
- TypeScript
- + 5
nanomesh
Python workflow tool for generating meshes from 2D and 3D microscopy image data
- Image processing
- Visualization
- Workflow technologies
- Jupyter Notebook
- Python
- Shell
- + 1
Noodles
Task-based parallel programming model in Python that offers the same intuitive interface when running complex workflows on your laptop or on large computer clusters.
- High performance computing
- Workflow technologies
- Jupyter Notebook
- Python
- Shell
- + 2
SyGMa
SyGMa provides fast and lightweight predictions of human metabolites to support discovery scientists design better and safer drugs
- Workflow technologies
- Python