DeepLearningExamples/DGLPyTorch/DrugDiscovery/RoseTTAFold/folding/data/scorefxn_cart.wts
2021-10-15 15:46:41 +02:00

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hbond_sr_bb 3.0
hbond_lr_bb 3.0
rama 1.0
omega 0.5
vdw 5.0
cart_bonded 5.0
atom_pair_constraint 1.0
dihedral_constraint 0.5
angle_constraint 0.5