All modules for which code is available
- generate_orca_input
- helpers
- rgpycrumbs
- rgpycrumbs._aux
- rgpycrumbs.basetypes
- rgpycrumbs.chemgp.match_atoms
- rgpycrumbs.chemgp.plot_gp
- rgpycrumbs.cli
- rgpycrumbs.eon._mlflow.log_params
- rgpycrumbs.eon.con_splitter
- rgpycrumbs.eon.generate_nwchem_input
- rgpycrumbs.eon.helpers
- rgpycrumbs.eon.plt_neb
- rgpycrumbs.eon.ptmdisp
- rgpycrumbs.eon.to_mlflow
- rgpycrumbs.func.muller_brown
- rgpycrumbs.geom.analysis
- rgpycrumbs.geom.api.alignment
- rgpycrumbs.geom.detect_fragments
- rgpycrumbs.geom.fragment_visualization
- rgpycrumbs.geom.fragments
- rgpycrumbs.geom.ira
- rgpycrumbs.interpolation
- rgpycrumbs.parsers.bless
- rgpycrumbs.parsers.common
- rgpycrumbs.plumed.direct_reconstruction
- rgpycrumbs.prefix.delete_packages
- rgpycrumbs.run.jupyter
- rgpycrumbs.surfaces
- rgpycrumbs.surfaces._base
- rgpycrumbs.surfaces._kernels
- rgpycrumbs.surfaces.gradient_imq
- rgpycrumbs.surfaces.gradient_matern
- rgpycrumbs.surfaces.gradient_nystrom
- rgpycrumbs.surfaces.gradient_rq
- rgpycrumbs.surfaces.gradient_se
- rgpycrumbs.surfaces.standard
- rgpycrumbs.xts.cuh2.datgen
- rgpycrumbs.xts.saddle.cuh2
- rgpycrumbs.xts.saddle.mb