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nomad-lab
tutorial-delta-ml
Commits
283207aa
Commit
283207aa
authored
May 10, 2017
by
Mohamed, Fawzi Roberto (fawzi)
Browse files
convert directory structure
parent
fe81886f
Changes
12
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molkrr/ml_chemical_space.bkr
deleted
100644 → 0
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fe81886f
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molkrr/__init__.py
→
python-modules/
molkrr/__init__.py
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283207aa
File moved
molkrr/data/XYZ_B3LYP_631G2dfp.dat
→
python-modules/
molkrr/data/XYZ_B3LYP_631G2dfp.dat
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283207aa
File moved
molkrr/data/split/orca-lda.absspec.e_1_eV.json.gz
→
python-modules/
molkrr/data/split/orca-lda.absspec.e_1_eV.json.gz
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283207aa
File moved
molkrr/data/split/orca-lda.absspec.f_1.json.gz
→
python-modules/
molkrr/data/split/orca-lda.absspec.f_1.json.gz
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283207aa
File moved
molkrr/data/split/orca-lda.gs.homolumogap.json.gz
→
python-modules/
molkrr/data/split/orca-lda.gs.homolumogap.json.gz
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283207aa
File moved
molkrr/data/split/orca-pbe0.absspec.e_1_eV.json.gz
→
python-modules/
molkrr/data/split/orca-pbe0.absspec.e_1_eV.json.gz
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283207aa
File moved
molkrr/data/split/orca-pbe0.absspec.f_1.json.gz
→
python-modules/
molkrr/data/split/orca-pbe0.absspec.f_1.json.gz
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283207aa
File moved
molkrr/data/split/orca-pbe0.gs.homolumogap.json.gz
→
python-modules/
molkrr/data/split/orca-pbe0.gs.homolumogap.json.gz
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283207aa
File moved
molkrr/krr.py
→
python-modules/
molkrr/krr.py
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283207aa
File moved
molkrr/ml_chemical_space.py
→
python-modules/
molkrr/ml_chemical_space.py
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283207aa
File moved
molkrr/readxyz.py
→
python-modules/
molkrr/readxyz.py
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283207aa
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