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54 software items. Page 2 of 5. 12 items per page. 1 filters active.
13-24 of 54

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
1
39

KNIME PLANTS

A node for the KNIME workflow system that allows you to use the PLANTS protein-ligand docking algorithm.

  • Workflow technologies
  • Java
  • Mustache
1
39

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
1
39

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
1
39

KNIME molecule viewer nodes

A 3D viewer for large molecules for the KNIME workflow system.

  • Visualization
  • Workflow technologies
  • CSS
  • Java
  • JavaScript
2
39

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
1
39

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
  • ANTLR
  • Common Workflow Language
  • Java
5
26

LinkAhead

Open Source Research Data Management Software

  • Data
  • Electronic Lab Notebook
  • ETL
  • + 9
  • ANTLR
  • C++
  • CSS
  • + 9
6
26

MDStudio

A tool to run molecular dynamics workflows.

  • High performance computing
  • Real time data analysis
  • Workflow technologies
  • CSS
  • Dockerfile
  • HTML
  • + 5
4
10

nanomesh

Python workflow tool for generating meshes from 2D and 3D microscopy image data

  • Image processing
  • Visualization
  • Workflow technologies
  • Jupyter Notebook
  • PowerShell
  • Python
  • + 1
3
5

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
  • HTML
  • Jupyter Notebook
  • Lua
  • + 2
9
4

SyGMa

SyGMa provides fast and lightweight predictions of human metabolites to support discovery scientists design better and safer drugs

  • Workflow technologies
  • Python
2
2