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chao1224
Geom3D chao1224
9
105
mit
2
Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023
3d drugs group biology physics crystals geometry material proteins symmetry chemistry molecules ai4science invariance equivariance 3d-structures
Created 2023-06-07
9 commits to main branch, last one 10 months ago
patonlab
CASCADE patonlab
13
53
mit
4
CAlculation of NMR Chemical Shifts using Deep LEarning
3d-structures nmr-chemical-shifts deep-neural-networks calculate-chemical-shifts
Created 2019-04-11
54 commits to master branch, last one about a year ago