move delta-ml beaker files to this git repo

molecules-delta-ml/copy_from_docker

molecules-delta-ml/copy_to_docker

molecules-delta-ml/python-modules/molkrr/__init__.py

...elta-ml/python-modules/molkrr/data/XYZ_B3LYP_631G2dfp.dat

...modules/molkrr/data/split/orca-lda.absspec.e_1_eV.json.gz

...on-modules/molkrr/data/split/orca-lda.absspec.f_1.json.gz

...modules/molkrr/data/split/orca-lda.gs.homolumogap.json.gz

...odules/molkrr/data/split/orca-pbe0.absspec.e_1_eV.json.gz

...n-modules/molkrr/data/split/orca-pbe0.absspec.f_1.json.gz

...odules/molkrr/data/split/orca-pbe0.gs.homolumogap.json.gz

molecules-delta-ml/python-modules/molkrr/krr.py

...ules-delta-ml/python-modules/molkrr/ml_chemical_space.bkr

...cules-delta-ml/python-modules/molkrr/ml_chemical_space.py

molecules-delta-ml/python-modules/molkrr/readxyz.py