Results for “dml”
2 skillsMolecular Dynamics
Run and analyze molecular dynamics simulations with OpenMM and MDAnalysis. Set up protein/small molecule systems, define force fields, run energy minimization and production MD, analyze trajectories (RMSD, RMSF, contact maps, free energy surfaces).
30.2k · bundle
Huml
Write, read, and validate HUML documents, converting between YAML/JSON/TOML and HUML for human-readable configuration files.
54 · bundle