Pinned Repositories
cwltool
Common Workflow Language reference implementation
DiffDock
Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
forcebalance
Systematic force field optimization.
ict-spec
image-workflows
mm-workflows
Molecular modeling workflows and extensions for workflow inference compiler
OnionNet-SFCT
Improving protein–ligand docking and screening accuracies by incorporating a scoring function correction term
polus-plugins
tinker
Tinker: Software Tools for Molecular Design
toil
A scalable, efficient, cross-platform (Linux/macOS) and easy-to-use workflow engine in pure Python.
misterbrandonwalker's Repositories
misterbrandonwalker/cwltool
Common Workflow Language reference implementation
misterbrandonwalker/DiffDock
Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
misterbrandonwalker/forcebalance
Systematic force field optimization.
misterbrandonwalker/ict-spec
misterbrandonwalker/image-workflows
misterbrandonwalker/mm-workflows
Molecular modeling workflows and extensions for workflow inference compiler
misterbrandonwalker/OnionNet-SFCT
Improving protein–ligand docking and screening accuracies by incorporating a scoring function correction term
misterbrandonwalker/polus-plugins
misterbrandonwalker/tinker
Tinker: Software Tools for Molecular Design
misterbrandonwalker/toil
A scalable, efficient, cross-platform (Linux/macOS) and easy-to-use workflow engine in pure Python.
misterbrandonwalker/workflow-inference-compiler
A domain specific language for creating scientific pipelines