how to use the results

[kehan777]

{ 'hyd_asa': 5792.08784994631, 'hph_asa': 4324.256925727055, 'net_charge': 2.0000000000000115, 'exposed_net_charge': -54.84999999999924, 'net_charge_cdr': 2.000000000000003, 'exposed_net_charge_cdr': -25.63, 'dipole_moment': 312.18610463483503, 'Fv_chml': 2.0, 'exposed_Fv_chml': -0.8500000000000014, 'hyd_moment': 466.79625177367046, 'cdr_h3_length': 13, 'aromatic_asa': 1063.019991846332, 'aromatic_cdr': 20, 'exposed_aromatic': 17, 'scm': 759.7550000000001, 'pos_ann_index': 1.0665034712376378, 'neg_ann_index': 1.219596326092563, 'aromatic_ann_index': 1.0360600326380085, 'pos_ripley_k': 1.0109179134654267, 'neg_ripley_k': 0.2827254735651682, 'aromatic_ripley_k': 1.4289797084881397, 'hyd_patch_area': 784.9276860382015, 'pos_patch_area': 74.91919133774987, 'neg_patch_area': 250.58775706865893, 'hyd_patch_area_cdr': 282.20901227528475, 'pos_patch_area_cdr': 74.91919133774987, 'neg_patch_area_cdr': 83.7257676014706, 'heiden_score': 137.98536008011325 }

Can you please share the average, max, min values of those features for therapy mabs

[yx0516]

@kehan777 Hi, did you successfully run this repo? The file 'amber.siz' where did you get it ? Could you share with us?

[bianli-regn]

@kehan777 Thanks for your interest in the work. Details regarding the features are described in this preprint: https://www.biorxiv.org/content/10.1101/2024.10.10.616558v2.