Natural Sciences & Engineering
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
AMBER
A real-time pipeline to search for Fast Radio Bursts and other transient radio sources.
- Big data
- GPU
- High performance computing
- + 1
- C++
- CMake
AMUSE
Combine existing numerical codes in an easy to use Python framework. With AMUSE you can simulate objects such as star clusters, proto-planetary disks and galaxies.
- High performance computing
- Multi-scale & multi model simulations
- Workflow technologies
- C
- Fortran
- Python
- + 23
AttentionLayer.jl
Implements the Attention mechanism in Julia as a modular Lux layer
- Julia Package
- Machine learning
- Scientific machine learning
- Julia
BestieTemplate.jl
BestieTemplate.jl is a template focused on best practices for package development in Julia.
- best practices
- julia
- template
- Julia
Ceiba
Ceiba and its command-line interface Ceiba-cli solve the problem of computing, storing, and securely sharing computationally expensive simulation results.
- Optimized data handling
- Python
- TeX
- Shell
- + 1
Chemical Analytics Platform
Chemical Analytics Platform is a freely available Virtual Machine encompassing tools, databases, and KNIME workflows.
- Workflow technologies
- Shell
- Smarty
ConvolutionalNeuralOperators.jl
Julia package to implement Convolutional Neural Operators
- Julia Package
- Machine learning
- Scientific machine learning
- Julia