Chicago

David W.H. Swenson

Expert
@dwhswenson

Theoretical chemist. Lead developer of OpenPathSampling and Contact Map Explorer. Ecosystem Infrastructure Lead at OMSF.

www.hyperblazer.net/

contact_map. Contact map analysis for biomolecules; based on MDTraj

49

autorelease. Tools for keeping release behavior clean

4

pyna. Python analysis for nucleic acids. Analysis scripts for Curves output.

4

OPSPiggybacker. Tools for converting path sampling simulations to OPS format

2

openmm_scaled_md. Scaled MD implementation in OpenMM

2

plugcli. Simple click-based tools for plugin-based CLIs

2

conda-rc-check. A GitHub Action to check whether a conda package has a recent release candidate

2

ghcontribs. Load and track contributions on GitHub

1

static-site-workflow. Static site workflow with GitHub and AWS

1

prepomm. Tools to prepare an OpenMM simulation

1

codemodel. Advanced metaprogramming tools

1

openmm-mmst. Tools to use the Meyer-Miller-Stock-Thoss (mapped electron) Hamiltonian in OpenMM

1
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