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.gitignore
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2735dfe01d
jetlag is a bitch.
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5 years ago |
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LICENSE
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7e5d9c00e6
Initial commit
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6 years ago |
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README.md
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7e5d9c00e6
Initial commit
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6 years ago |
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build.sh
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ba131b3f4a
progress on smiles parser
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5 years ago |
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csv.cpp
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643ec9ea4b
loading basic atomic properties
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5 years ago |
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csv.hpp
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643ec9ea4b
loading basic atomic properties
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5 years ago |
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elements.csv
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24ba5a5d8b
random unfinished files before travel
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6 years ago |
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main.cpp
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ba131b3f4a
progress on smiles parser
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5 years ago |
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moly.cpp
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ba131b3f4a
progress on smiles parser
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5 years ago |
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moly.hpp
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ba131b3f4a
progress on smiles parser
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5 years ago |
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smiles.cpp
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ba131b3f4a
progress on smiles parser
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5 years ago |
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smiles.hpp
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ba131b3f4a
progress on smiles parser
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5 years ago |
Izzy
ba131b3f4a
progress on smiles parser