EGNN-Pytorch(WIP)
中的实现。 最终可用于Alphafold2复制。
安装
$ pip install egnn-pytorch
用法
import torch
from egnn_pytorch import EGNN
layer1 = EGNN ( dim = 512 )
layer2 = EGNN ( dim = 512 )
feats = torch . randn ( 1 , 16 , 512 )
coors = torch . randn ( 1 , 16 , 3 )
feats , coors = layer1 ( feats , coors )
feats , coors = layer2 ( feats , coors ) # (1, 16, 512), (1, 16, 3)
带边
import torch
from egnn_pytorch impo
1