Shree changes#18

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shreesowndarya wants to merge 28 commits intoNatLabRockies:masterfrom

shreesowndarya:shree_changes

Commits on Jan 6, 2022

Commits on Feb 1, 2022

Adding in example with xtb json
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Commits on Mar 7, 2022

Preprocessing based on 3D distances from xTB. Graphs created based on 3D structures
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Tokenizing only bonds with are actually there. Other 0
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Directly taking in bond_distance.
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Commits on Mar 8, 2022