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dffc8e6d

Commit dffc8e6d authored 5 years ago by Adam Fekete

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imported from old previous repository

parent 0352e5d6

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data/data_GDB9.xyz 39820 additions, 0 deletions

data/data_GDB9.xyz
data/data_GDB9.xyz.idx 2002 additions, 0 deletions

data/data_GDB9.xyz.idx
scripts/Preprocess.py 130 additions, 0 deletions

scripts/Preprocess.py
scripts/Reader.py 197 additions, 0 deletions

scripts/Reader.py
scripts/Visualise.py 154 additions, 0 deletions

scripts/Visualise.py
scripts/Visualise_quip.py 154 additions, 0 deletions

scripts/Visualise_quip.py
scripts/__init__.py 0 additions, 0 deletions

scripts/__init__.py
soap_atomic_charges.ipynb 559 additions, 0 deletions

soap_atomic_charges.ipynb

with 43016 additions and 0 deletions

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