2 results found Sort:

chao1224
Geom3D chao1224
13
117
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 about a year ago
patonlab
CASCADE patonlab
17
58
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